N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide

C24H25N5O5 — CID 26275930

IUPACN-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCOCc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)c4cc(C)n(C)n4)c(C)o3)cc2)o1
InChIInChI=1S/C24H25N5O5/c1-14-11-19(28-29(14)3)22(30)25-12-20-15(2)33-24(27-20)16-5-7-17(8-6-16)26-23(31)21-10-9-18(34-21)13-32-4/h5-11H,12-13H2,1-4H3,(H,25,30)(H,26,31)
InChIKeyOALLCSVSWAGEIS-UHFFFAOYSA-N
MW463.49 g/mol
LogP3.61
Rot. Bonds8

About N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide

N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 26275930) has the molecular formula C24H25N5O5 and a molecular weight of 463.49 g/mol. Its IUPAC name is N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID26275930
Molecular FormulaC24H25N5O5
Molecular Weight463.49 g/mol
Exact Mass463.19
IUPAC NameN-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCOCc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)c4cc(C)n(C)n4)c(C)o3)cc2)o1
InChIInChI=1S/C24H25N5O5/c1-14-11-19(28-29(14)3)22(30)25-12-20-15(2)33-24(27-20)16-5-7-17(8-6-16)26-23(31)21-10-9-18(34-21)13-32-4/h5-11H,12-13H2,1-4H3,(H,25,30)(H,26,31)
InChIKeyOALLCSVSWAGEIS-UHFFFAOYSA-N
XLogP3.61
TPSA124.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,2,5-thiadiazole-3-carboxamide
CID 26347714
N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 42430218
N-[4-[4-[[(4-ethenylbenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 118754618
5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-methylsulfanylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide
CID 42451700
N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]quinoxaline-5-carboxamide
CID 42472213
5-(methoxymethyl)-N-[4-[5-methyl-4-[[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide
CID 26282410
5-(methoxymethyl)-N-[[2-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide
CID 42421181
1,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
CID 39854570
5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-pyridin-3-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide
CID 42167713
methyl N-[4-[[[5-(methoxymethyl)furan-2-carbonyl]amino]methyl]phenyl]carbamate
CID 78902905
N-[4-(diethylamino)phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 30838668
N-[[2-[4-(furan-3-carbonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 42191179

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide (CID 26275930) is N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide is COCc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)c4cc(C)n(C)n4)c(C)o3)cc2)o1.
What is the InChIKey of N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is OALLCSVSWAGEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O5/c1-14-11-19(28-29(14)3)22(30)25-12-20-15(2)33-24(27-20)16-5-7-17(8-6-16)26-23(31)21-10-9-18(34-21)13-32-4/h5-11H,12-13H2,1-4H3,(H,25,30)(H,26,31).
What are the key properties of N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide?
N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 463.49 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 26275930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).