N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide

C20H17N3O2S — CID 71889112

IUPACN-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
SMILESCc1ncc(-c2ccc(NC(=O)c3cccn3Cc3cccs3)cc2)o1
InChIInChI=1S/C20H17N3O2S/c1-14-21-12-19(25-14)15-6-8-16(9-7-15)22-20(24)18-5-2-10-23(18)13-17-4-3-11-26-17/h2-12H,13H2,1H3,(H,22,24)
InChIKeyINHVOVJVKGBQLN-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.81
Rot. Bonds5

About N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide

N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide (PubChem CID 71889112) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
PubChem CID71889112
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC NameN-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
SMILESCc1ncc(-c2ccc(NC(=O)c3cccn3Cc3cccs3)cc2)o1
InChIInChI=1S/C20H17N3O2S/c1-14-21-12-19(25-14)15-6-8-16(9-7-15)22-20(24)18-5-2-10-23(18)13-17-4-3-11-26-17/h2-12H,13H2,1H3,(H,22,24)
InChIKeyINHVOVJVKGBQLN-UHFFFAOYSA-N
XLogP4.81
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide 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-(2-methyl-1,3-benzothiazol-6-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 55922726
N-[3-(thiophene-2-carbonylamino)phenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 55930290
2-[2-[4-(2-methyl-1,3-oxazol-5-yl)anilino]-2-oxoethyl]sulfanyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]acetamide
CID 112830792
3-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 119221189
N-[(2R)-1-amino-1-oxopropan-2-yl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 96563172
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 60548500
N-(2-amino-2-ethylbutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 119643874
(2R)-2-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 124610210
[4-(2-methyl-1,3-oxazol-5-yl)phenyl]thiourea
CID 86632608
N-(3-aminopropyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 119408953
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enamide
CID 166405051
N-(3-aminobutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119499620

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide (CID 71889112) is N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide is Cc1ncc(-c2ccc(NC(=O)c3cccn3Cc3cccs3)cc2)o1.
What is the InChIKey of N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is INHVOVJVKGBQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-14-21-12-19(25-14)15-6-8-16(9-7-15)22-20(24)18-5-2-10-23(18)13-17-4-3-11-26-17/h2-12H,13H2,1H3,(H,22,24).
What are the key properties of N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 71889112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).