ethyl carbonochloridate;ethyl 5-[4-[(5-ethyl-1,2-oxazol-3-yl)carbamoylamino]-3-methylphenyl]-3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]pyrazole-1-carboxylate;N-[5-[4-[(5-ethyl-1,2-oxazol-3-yl)carbamoylamino]-3-methylphenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide;methane

C65H79ClN14O14 — CID 158244322

IUPACethyl carbonochloridate;ethyl 5-[4-[(5-ethyl-1,2-oxazol-3-yl)carbamoylamino]-3-methylphenyl]-3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]pyrazole-1-carboxylate;N-[5-[4-[(5-ethyl-1,2-oxazol-3-yl)carbamoylamino]-3-methylphenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide;methane
SMILESC.CCOC(=O)Cl.CCOC(=O)n1nc(NC(=O)c2ccc(OCCN3CCOCC3)cc2)cc1-c1ccc(NC(=O)Nc2cc(CC)on2)c(C)c1.CCc1cc(NC(=O)Nc2ccc(-c3cc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)n[nH]3)cc2C)no1
InChIInChI=1S/C32H37N7O7.C29H33N7O5.C3H5ClO2.CH4/c1-4-24-19-29(37-46-24)35-31(41)33-26-11-8-23(18-21(26)3)27-20-28(36-39(27)32(42)44-5-2)34-30(40)22-6-9-25(10-7-22)45-17-14-38-12-15-43-16-13-38;1-3-22-17-27(35-41-22)32-29(38)30-24-9-6-21(16-19(24)2)25-18-26(34-33-25)31-28(37)20-4-7-23(8-5-20)40-15-12-36-10-13-39-14-11-36;1-2-6-3(4)5;/h6-11,18-20H,4-5,12-17H2,1-3H3,(H,34,36,40)(H2,33,35,37,41);4-9,16-18H,3,10-15H2,1-2H3,(H2,30,32,35,38)(H2,31,33,34,37);2H2,1H3;1H4
InChIKeyGFXXSLYZNTVCBT-UHFFFAOYSA-N
MW1315.88 g/mol
LogP11.58
Rot. Bonds22

About ethyl carbonochloridate;ethyl 5-[4-[(5-ethyl-1,2-oxazol-3-yl)carbamoylamino]-3-methylphenyl]-3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]pyrazole-1-carboxylate;N-[5-[4-[(5-ethyl-1,2-oxazol-3-yl)carbamoylamino]-3-methylphenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide;methane

ethyl carbonochloridate;ethyl 5-[4-[(5-ethyl-1,2-oxazol-3-yl)carbamoylamino]-3-methylphenyl]-3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]pyrazole-1-carboxylate;N-[5-[4-[(5-ethyl-1,2-oxazol-3-yl)carbamoylamino]-3-methylphenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide;methane (PubChem CID 158244322) has the molecular formula C65H79ClN14O14 and a molecular weight of 1315.88 g/mol. Its IUPAC name is ethyl carbonochloridate;ethyl 5-[4-[(5-ethyl-1,2-oxazol-3-yl)carbamoylamino]-3-methylphenyl]-3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]pyrazole-1-carboxylate;N-[5-[4-[(5-ethyl-1,2-oxazol-3-yl)carbamoylamino]-3-methylphenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide;methane.

Molecular Properties

Compound Nameethyl carbonochloridate;ethyl 5-[4-[(5-ethyl-1,2-oxazol-3-yl)carbamoylamino]-3-methylphenyl]-3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]pyrazole-1-carboxylate;N-[5-[4-[(5-ethyl-1,2-oxazol-3-yl)carbamoylamino]-3-methylphenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide;methane
PubChem CID158244322
Molecular FormulaC65H79ClN14O14
Molecular Weight1315.88 g/mol
Exact Mass1314.56
IUPAC Nameethyl carbonochloridate;ethyl 5-[4-[(5-ethyl-1,2-oxazol-3-yl)carbamoylamino]-3-methylphenyl]-3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]pyrazole-1-carboxylate;N-[5-[4-[(5-ethyl-1,2-oxazol-3-yl)carbamoylamino]-3-methylphenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide;methane
SMILESC.CCOC(=O)Cl.CCOC(=O)n1nc(NC(=O)c2ccc(OCCN3CCOCC3)cc2)cc1-c1ccc(NC(=O)Nc2cc(CC)on2)c(C)c1.CCc1cc(NC(=O)Nc2ccc(-c3cc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)n[nH]3)cc2C)no1
InChIInChI=1S/C32H37N7O7.C29H33N7O5.C3H5ClO2.CH4/c1-4-24-19-29(37-46-24)35-31(41)33-26-11-8-23(18-21(26)3)27-20-28(36-39(27)32(42)44-5-2)34-30(40)22-6-9-25(10-7-22)45-17-14-38-12-15-43-16-13-38;1-3-22-17-27(35-41-22)32-29(38)30-24-9-6-21(16-19(24)2)25-18-26(34-33-25)31-28(37)20-4-7-23(8-5-20)40-15-12-36-10-13-39-14-11-36;1-2-6-3(4)5;/h6-11,18-20H,4-5,12-17H2,1-3H3,(H,34,36,40)(H2,33,35,37,41);4-9,16-18H,3,10-15H2,1-2H3,(H2,30,32,35,38)(H2,31,33,34,37);2H2,1H3;1H4
InChIKeyGFXXSLYZNTVCBT-UHFFFAOYSA-N
XLogP11.58
TPSA335.02 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds22
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001315.88
LogP ≤ 511.58
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze ethyl carbonochloridate;ethyl 5-[4-[(5-ethyl-1,2-oxazol-3-yl)carbamoylamino]-3-methylphenyl]-3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]pyrazole-1-carboxylate;N-[5-[4-[(5-ethyl-1,2-oxazol-3-yl)carbamoylamino]-3-methylphenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[4-[[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide
CID 70654642
N-[5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide
CID 70654623
N-[5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-1H-pyrazol-3-yl]-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 70655062
N-[5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-3-methylphenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide
CID 73354960
N-[5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-1H-pyrazol-3-yl]-4-(3-pyrrolidin-1-ylpropoxy)benzamide
CID 70660512
N-[5-[4-[(5-ethyl-1,2-oxazol-3-yl)carbamoylamino]-3-methylphenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide
CID 60194107
Ethyl 5-[4-[(5-ethyl-1,2-oxazol-3-yl)carbamoylamino]-3-methylphenyl]-3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]pyrazole-1-carboxylate
CID 60198946
N-[5-[4-[[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 70654535
N-[5-[4-[[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide
CID 70654560
4-(2-morpholin-4-ylethoxy)-N-[5-[4-[[(5-propan-2-yl-1,2-oxazol-3-yl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]benzamide
CID 70654746
N-[5-[4-[[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 70655144
3-[4-[(5-ethyl-1,2-oxazol-3-yl)carbamoylamino]-3-methylphenyl]-4-(2-morpholin-4-ylethoxy)-N-(1H-pyrazol-5-yl)benzamide
CID 70655193

Frequently Asked Questions

What is the IUPAC name of ethyl carbonochloridate;ethyl 5-[4-[(5-ethyl-1,2-oxazol-3-yl)carbamoylamino]-3-methylphenyl]-3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]pyrazole-1-carboxylate;N-[5-[4-[(5-ethyl-1,2-oxazol-3-yl)carbamoylamino]-3-methylphenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide;methane?
The IUPAC name of ethyl carbonochloridate;ethyl 5-[4-[(5-ethyl-1,2-oxazol-3-yl)carbamoylamino]-3-methylphenyl]-3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]pyrazole-1-carboxylate;N-[5-[4-[(5-ethyl-1,2-oxazol-3-yl)carbamoylamino]-3-methylphenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide;methane (CID 158244322) is ethyl carbonochloridate;ethyl 5-[4-[(5-ethyl-1,2-oxazol-3-yl)carbamoylamino]-3-methylphenyl]-3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]pyrazole-1-carboxylate;N-[5-[4-[(5-ethyl-1,2-oxazol-3-yl)carbamoylamino]-3-methylphenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide;methane.
What is the SMILES notation for ethyl carbonochloridate;ethyl 5-[4-[(5-ethyl-1,2-oxazol-3-yl)carbamoylamino]-3-methylphenyl]-3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]pyrazole-1-carboxylate;N-[5-[4-[(5-ethyl-1,2-oxazol-3-yl)carbamoylamino]-3-methylphenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide;methane?
The canonical SMILES for ethyl carbonochloridate;ethyl 5-[4-[(5-ethyl-1,2-oxazol-3-yl)carbamoylamino]-3-methylphenyl]-3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]pyrazole-1-carboxylate;N-[5-[4-[(5-ethyl-1,2-oxazol-3-yl)carbamoylamino]-3-methylphenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide;methane is C.CCOC(=O)Cl.CCOC(=O)n1nc(NC(=O)c2ccc(OCCN3CCOCC3)cc2)cc1-c1ccc(NC(=O)Nc2cc(CC)on2)c(C)c1.CCc1cc(NC(=O)Nc2ccc(-c3cc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)n[nH]3)cc2C)no1.
What is the InChIKey of ethyl carbonochloridate;ethyl 5-[4-[(5-ethyl-1,2-oxazol-3-yl)carbamoylamino]-3-methylphenyl]-3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]pyrazole-1-carboxylate;N-[5-[4-[(5-ethyl-1,2-oxazol-3-yl)carbamoylamino]-3-methylphenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide;methane?
The InChIKey is GFXXSLYZNTVCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N7O7.C29H33N7O5.C3H5ClO2.CH4/c1-4-24-19-29(37-46-24)35-31(41)33-26-11-8-23(18-21(26)3)27-20-28(36-39(27)32(42)44-5-2)34-30(40)22-6-9-25(10-7-22)45-17-14-38-12-15-43-16-13-38;1-3-22-17-27(35-41-22)32-29(38)30-24-9-6-21(16-19(24)2)25-18-26(34-33-25)31-28(37)20-4-7-23(8-5-20)40-15-12-36-10-13-39-14-11-36;1-2-6-3(4)5;/h6-11,18-20H,4-5,12-17H2,1-3H3,(H,34,36,40)(H2,33,35,37,41);4-9,16-18H,3,10-15H2,1-2H3,(H2,30,32,35,38)(H2,31,33,34,37);2H2,1H3;1H4.
What are the key properties of ethyl carbonochloridate;ethyl 5-[4-[(5-ethyl-1,2-oxazol-3-yl)carbamoylamino]-3-methylphenyl]-3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]pyrazole-1-carboxylate;N-[5-[4-[(5-ethyl-1,2-oxazol-3-yl)carbamoylamino]-3-methylphenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide;methane?
ethyl carbonochloridate;ethyl 5-[4-[(5-ethyl-1,2-oxazol-3-yl)carbamoylamino]-3-methylphenyl]-3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]pyrazole-1-carboxylate;N-[5-[4-[(5-ethyl-1,2-oxazol-3-yl)carbamoylamino]-3-methylphenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide;methane has a molecular weight of 1315.88 g/mol, XLogP of 11.58, 22 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl carbonochloridate;ethyl 5-[4-[(5-ethyl-1,2-oxazol-3-yl)carbamoylamino]-3-methylphenyl]-3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]pyrazole-1-carboxylate;N-[5-[4-[(5-ethyl-1,2-oxazol-3-yl)carbamoylamino]-3-methylphenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide;methane is sourced from PubChem (CID 158244322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).