5-(methoxymethyl)-N-[4-[5-methyl-4-[[4-(1,2,4-triazol-1-yl)butanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide

C24H26N6O4S — CID 42164475

IUPAC5-(methoxymethyl)-N-[4-[5-methyl-4-[[4-(1,2,4-triazol-1-yl)butanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide
SMILESCOCc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)CCCn4cncn4)c(C)o3)cc2)s1
InChIInChI=1S/C24H26N6O4S/c1-16-20(12-26-22(31)4-3-11-30-15-25-14-27-30)29-24(34-16)17-5-7-18(8-6-17)28-23(32)21-10-9-19(35-21)13-33-2/h5-10,14-15H,3-4,11-13H2,1-2H3,(H,26,31)(H,28,32)
InChIKeyYVSCDMGKKMPPCU-UHFFFAOYSA-N
MW494.58 g/mol
LogP3.80
Rot. Bonds11

About 5-(methoxymethyl)-N-[4-[5-methyl-4-[[4-(1,2,4-triazol-1-yl)butanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide

5-(methoxymethyl)-N-[4-[5-methyl-4-[[4-(1,2,4-triazol-1-yl)butanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide (PubChem CID 42164475) has the molecular formula C24H26N6O4S and a molecular weight of 494.58 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-[4-[5-methyl-4-[[4-(1,2,4-triazol-1-yl)butanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-[4-[5-methyl-4-[[4-(1,2,4-triazol-1-yl)butanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide
PubChem CID42164475
Molecular FormulaC24H26N6O4S
Molecular Weight494.58 g/mol
Exact Mass494.17
IUPAC Name5-(methoxymethyl)-N-[4-[5-methyl-4-[[4-(1,2,4-triazol-1-yl)butanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide
SMILESCOCc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)CCCn4cncn4)c(C)o3)cc2)s1
InChIInChI=1S/C24H26N6O4S/c1-16-20(12-26-22(31)4-3-11-30-15-25-14-27-30)29-24(34-16)17-5-7-18(8-6-17)28-23(32)21-10-9-19(35-21)13-33-2/h5-10,14-15H,3-4,11-13H2,1-2H3,(H,26,31)(H,28,32)
InChIKeyYVSCDMGKKMPPCU-UHFFFAOYSA-N
XLogP3.80
TPSA124.17 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.58
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

5-methyl-N-[3-[5-methyl-4-[[4-(1,2,4-triazol-1-yl)butanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide
CID 26280392
5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-pyridin-3-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide
CID 42167713
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
N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-methylthiophene-2-carboxamide
CID 71837338
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 111478935
3-methoxy-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]propanamide
CID 53168528
N-[4-[4-[[(4-ethenylbenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 118754618
N-[4-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide
CID 42245990
N-[[2-[4-(furan-3-carbonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 42191179
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
5-(methoxymethyl)-N-[4-[5-methyl-4-[[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide
CID 26282410
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

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-[4-[5-methyl-4-[[4-(1,2,4-triazol-1-yl)butanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-[4-[5-methyl-4-[[4-(1,2,4-triazol-1-yl)butanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide (CID 42164475) is 5-(methoxymethyl)-N-[4-[5-methyl-4-[[4-(1,2,4-triazol-1-yl)butanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-[4-[5-methyl-4-[[4-(1,2,4-triazol-1-yl)butanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-[4-[5-methyl-4-[[4-(1,2,4-triazol-1-yl)butanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide is COCc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)CCCn4cncn4)c(C)o3)cc2)s1.
What is the InChIKey of 5-(methoxymethyl)-N-[4-[5-methyl-4-[[4-(1,2,4-triazol-1-yl)butanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide?
The InChIKey is YVSCDMGKKMPPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4S/c1-16-20(12-26-22(31)4-3-11-30-15-25-14-27-30)29-24(34-16)17-5-7-18(8-6-17)28-23(32)21-10-9-19(35-21)13-33-2/h5-10,14-15H,3-4,11-13H2,1-2H3,(H,26,31)(H,28,32).
What are the key properties of 5-(methoxymethyl)-N-[4-[5-methyl-4-[[4-(1,2,4-triazol-1-yl)butanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide?
5-(methoxymethyl)-N-[4-[5-methyl-4-[[4-(1,2,4-triazol-1-yl)butanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 494.58 g/mol, XLogP of 3.80, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-[4-[5-methyl-4-[[4-(1,2,4-triazol-1-yl)butanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 42164475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).