5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-pyridin-3-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide

C25H24N4O4S — CID 42167713

IUPAC5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-pyridin-3-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide
SMILESCOCc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)Cc4cccnc4)c(C)o3)cc2)s1
InChIInChI=1S/C25H24N4O4S/c1-16-21(14-27-23(30)12-17-4-3-11-26-13-17)29-25(33-16)18-5-7-19(8-6-18)28-24(31)22-10-9-20(34-22)15-32-2/h3-11,13H,12,14-15H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyZWHIPPMETDNTSC-UHFFFAOYSA-N
MW476.56 g/mol
LogP4.36
Rot. Bonds9

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

5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-pyridin-3-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide (PubChem CID 42167713) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-pyridin-3-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-pyridin-3-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide
PubChem CID42167713
Molecular FormulaC25H24N4O4S
Molecular Weight476.56 g/mol
Exact Mass476.15
IUPAC Name5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-pyridin-3-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide
SMILESCOCc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)Cc4cccnc4)c(C)o3)cc2)s1
InChIInChI=1S/C25H24N4O4S/c1-16-21(14-27-23(30)12-17-4-3-11-26-13-17)29-25(33-16)18-5-7-19(8-6-18)28-24(31)22-10-9-20(34-22)15-32-2/h3-11,13H,12,14-15H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyZWHIPPMETDNTSC-UHFFFAOYSA-N
XLogP4.36
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-pyridin-3-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-pyridin-3-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide (CID 42167713) is 5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-pyridin-3-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-pyridin-3-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-pyridin-3-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide is COCc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)Cc4cccnc4)c(C)o3)cc2)s1.
What is the InChIKey of 5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-pyridin-3-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide?
The InChIKey is ZWHIPPMETDNTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-16-21(14-27-23(30)12-17-4-3-11-26-13-17)29-25(33-16)18-5-7-19(8-6-18)28-24(31)22-10-9-20(34-22)15-32-2/h3-11,13H,12,14-15H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of 5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-pyridin-3-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide?
5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-pyridin-3-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 476.56 g/mol, XLogP of 4.36, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-pyridin-3-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 42167713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).