N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide

C26H29N5O2S — CID 142463661

IUPACN-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3c(C)noc3C)cc2)n(Cc2csc(N3CCCCC3)n2)c1
InChIInChI=1S/C26H29N5O2S/c1-17-13-23(31(14-17)15-22-16-34-26(28-22)30-11-5-4-6-12-30)25(32)27-21-9-7-20(8-10-21)24-18(2)29-33-19(24)3/h7-10,13-14,16H,4-6,11-12,15H2,1-3H3,(H,27,32)
InChIKeyOXKVXLKQCSWSNP-UHFFFAOYSA-N
MW475.62 g/mol
LogP5.82
Rot. Bonds6

About N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide

N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide (PubChem CID 142463661) has the molecular formula C26H29N5O2S and a molecular weight of 475.62 g/mol. Its IUPAC name is N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide
PubChem CID142463661
Molecular FormulaC26H29N5O2S
Molecular Weight475.62 g/mol
Exact Mass475.20
IUPAC NameN-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3c(C)noc3C)cc2)n(Cc2csc(N3CCCCC3)n2)c1
InChIInChI=1S/C26H29N5O2S/c1-17-13-23(31(14-17)15-22-16-34-26(28-22)30-11-5-4-6-12-30)25(32)27-21-9-7-20(8-10-21)24-18(2)29-33-19(24)3/h7-10,13-14,16H,4-6,11-12,15H2,1-3H3,(H,27,32)
InChIKeyOXKVXLKQCSWSNP-UHFFFAOYSA-N
XLogP5.82
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.62
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]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

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide?
The IUPAC name of N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide (CID 142463661) is N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide is Cc1cc(C(=O)Nc2ccc(-c3c(C)noc3C)cc2)n(Cc2csc(N3CCCCC3)n2)c1.
What is the InChIKey of N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide?
The InChIKey is OXKVXLKQCSWSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2S/c1-17-13-23(31(14-17)15-22-16-34-26(28-22)30-11-5-4-6-12-30)25(32)27-21-9-7-20(8-10-21)24-18(2)29-33-19(24)3/h7-10,13-14,16H,4-6,11-12,15H2,1-3H3,(H,27,32).
What are the key properties of N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide?
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide has a molecular weight of 475.62 g/mol, XLogP of 5.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 142463661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).