ethane;methane;N-[3-[(5-methyl-1H-pyrazol-3-yl)sulfinylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide

C20H29N5O3S — CID 144922099

IUPACethane;methane;N-[3-[(5-methyl-1H-pyrazol-3-yl)sulfinylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESC.CC.Cc1cc(S(=O)NCCCNC(=O)c2cc(-c3ccccc3)on2)n[nH]1
InChIInChI=1S/C17H19N5O3S.C2H6.CH4/c1-12-10-16(21-20-12)26(24)19-9-5-8-18-17(23)14-11-15(25-22-14)13-6-3-2-4-7-13;1-2;/h2-4,6-7,10-11,19H,5,8-9H2,1H3,(H,18,23)(H,20,21);1-2H3;1H4
InChIKeyCRVBURSYYLBXRB-UHFFFAOYSA-N
MW419.55 g/mol
LogP3.47
Rot. Bonds8

About ethane;methane;N-[3-[(5-methyl-1H-pyrazol-3-yl)sulfinylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide

ethane;methane;N-[3-[(5-methyl-1H-pyrazol-3-yl)sulfinylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 144922099) has the molecular formula C20H29N5O3S and a molecular weight of 419.55 g/mol. Its IUPAC name is ethane;methane;N-[3-[(5-methyl-1H-pyrazol-3-yl)sulfinylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Nameethane;methane;N-[3-[(5-methyl-1H-pyrazol-3-yl)sulfinylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID144922099
Molecular FormulaC20H29N5O3S
Molecular Weight419.55 g/mol
Exact Mass419.20
IUPAC Nameethane;methane;N-[3-[(5-methyl-1H-pyrazol-3-yl)sulfinylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESC.CC.Cc1cc(S(=O)NCCCNC(=O)c2cc(-c3ccccc3)on2)n[nH]1
InChIInChI=1S/C17H19N5O3S.C2H6.CH4/c1-12-10-16(21-20-12)26(24)19-9-5-8-18-17(23)14-11-15(25-22-14)13-6-3-2-4-7-13;1-2;/h2-4,6-7,10-11,19H,5,8-9H2,1H3,(H,18,23)(H,20,21);1-2H3;1H4
InChIKeyCRVBURSYYLBXRB-UHFFFAOYSA-N
XLogP3.47
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(chloroamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118906505
5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide
CID 118877021
N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 44602317
2-methylpropyl N-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propyl]carbamate
CID 131991833
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 70708653
ethyl 5-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propylsulfamoyl]-1H-pyrazole-3-carboxylate
CID 118368037
5-phenyl-N-[3-(pyridine-3-carbonylamino)propyl]-1,2-oxazole-3-carboxamide
CID 118877101
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 70777871
N-[3-(3-fluorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 91954603
N-[3-[4-(methanesulfonamido)phenyl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 110619652
N-[4-(5-methyl-1,3-thiazol-4-yl)-4-oxobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 159012659
5-(4-bromophenyl)-N-butyl-1,2-oxazole-3-carboxamide
CID 22427396

Frequently Asked Questions

What is the IUPAC name of ethane;methane;N-[3-[(5-methyl-1H-pyrazol-3-yl)sulfinylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of ethane;methane;N-[3-[(5-methyl-1H-pyrazol-3-yl)sulfinylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 144922099) is ethane;methane;N-[3-[(5-methyl-1H-pyrazol-3-yl)sulfinylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for ethane;methane;N-[3-[(5-methyl-1H-pyrazol-3-yl)sulfinylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for ethane;methane;N-[3-[(5-methyl-1H-pyrazol-3-yl)sulfinylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide is C.CC.Cc1cc(S(=O)NCCCNC(=O)c2cc(-c3ccccc3)on2)n[nH]1.
What is the InChIKey of ethane;methane;N-[3-[(5-methyl-1H-pyrazol-3-yl)sulfinylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is CRVBURSYYLBXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S.C2H6.CH4/c1-12-10-16(21-20-12)26(24)19-9-5-8-18-17(23)14-11-15(25-22-14)13-6-3-2-4-7-13;1-2;/h2-4,6-7,10-11,19H,5,8-9H2,1H3,(H,18,23)(H,20,21);1-2H3;1H4.
What are the key properties of ethane;methane;N-[3-[(5-methyl-1H-pyrazol-3-yl)sulfinylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
ethane;methane;N-[3-[(5-methyl-1H-pyrazol-3-yl)sulfinylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 3.47, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;N-[3-[(5-methyl-1H-pyrazol-3-yl)sulfinylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 144922099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).