N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]pyrrole-3-carboxamide

C20H23N3O2S — CID 30091933

IUPACN,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]pyrrole-3-carboxamide
SMILESCSc1ccc(CN(C)C(=O)c2cc(C)n(-c3cc(C)on3)c2C)cc1
InChIInChI=1S/C20H23N3O2S/c1-13-10-18(15(3)23(13)19-11-14(2)25-21-19)20(24)22(4)12-16-6-8-17(26-5)9-7-16/h6-11H,12H2,1-5H3
InChIKeyHTNFRJBWNNKNMV-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.38
Rot. Bonds5

About N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]pyrrole-3-carboxamide

N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]pyrrole-3-carboxamide (PubChem CID 30091933) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]pyrrole-3-carboxamide
PubChem CID30091933
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]pyrrole-3-carboxamide
SMILESCSc1ccc(CN(C)C(=O)c2cc(C)n(-c3cc(C)on3)c2C)cc1
InChIInChI=1S/C20H23N3O2S/c1-13-10-18(15(3)23(13)19-11-14(2)25-21-19)20(24)22(4)12-16-6-8-17(26-5)9-7-16/h6-11H,12H2,1-5H3
InChIKeyHTNFRJBWNNKNMV-UHFFFAOYSA-N
XLogP4.38
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 30134507
N-ethyl-N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 78861355
1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-(4-fluorophenyl)sulfanylethanone
CID 2672240
N-[[4-(dimethylamino)phenyl]methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 30186519
N-benzyl-N-(2-methoxyethyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 30889510
N-[[4-(ethylcarbamoyl)phenyl]methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 78876617
N-cyclohexyl-N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 86921369
N-benzyl-N,2,5-trimethyl-1-phenylpyrrole-3-carboxamide
CID 30281388
N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-piperidin-4-ylpyrrole-3-carboxamide
CID 119442680
2-[(2,4-difluorophenyl)methyl-methylamino]-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]ethanone
CID 55542900
N-[2-(4-aminophenyl)ethyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide;hydrochloride
CID 119548480
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2438629

Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]pyrrole-3-carboxamide?
The IUPAC name of N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]pyrrole-3-carboxamide (CID 30091933) is N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]pyrrole-3-carboxamide.
What is the SMILES notation for N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]pyrrole-3-carboxamide?
The canonical SMILES for N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]pyrrole-3-carboxamide is CSc1ccc(CN(C)C(=O)c2cc(C)n(-c3cc(C)on3)c2C)cc1.
What is the InChIKey of N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]pyrrole-3-carboxamide?
The InChIKey is HTNFRJBWNNKNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-13-10-18(15(3)23(13)19-11-14(2)25-21-19)20(24)22(4)12-16-6-8-17(26-5)9-7-16/h6-11H,12H2,1-5H3.
What are the key properties of N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]pyrrole-3-carboxamide?
N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]pyrrole-3-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]pyrrole-3-carboxamide is sourced from PubChem (CID 30091933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).