N-ethyl-N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide

C21H25N3O3 — CID 78861355

IUPACN-ethyl-N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)c1cc(C)n(-c2cc(C)on2)c1C
InChIInChI=1S/C21H25N3O3/c1-6-23(13-17-7-9-18(26-5)10-8-17)21(25)19-11-14(2)24(16(19)4)20-12-15(3)27-22-20/h7-12H,6,13H2,1-5H3
InChIKeyHJNDVOMYMQZUCI-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.06
Rot. Bonds6

About N-ethyl-N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide

N-ethyl-N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide (PubChem CID 78861355) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-ethyl-N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
PubChem CID78861355
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-ethyl-N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)c1cc(C)n(-c2cc(C)on2)c1C
InChIInChI=1S/C21H25N3O3/c1-6-23(13-17-7-9-18(26-5)10-8-17)21(25)19-11-14(2)24(16(19)4)20-12-15(3)27-22-20/h7-12H,6,13H2,1-5H3
InChIKeyHJNDVOMYMQZUCI-UHFFFAOYSA-N
XLogP4.06
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-ethyl-N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-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-benzyl-N-(2-methoxyethyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 30889510
N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]pyrrole-3-carboxamide
CID 30091933
1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanone
CID 9130502
[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2592559
N-(1,3-benzodioxol-5-ylmethyl)-N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 30134507
2-[ethyl-[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid
CID 119206183
N-[[4-(dimethylamino)phenyl]methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 30186519
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 78842927
1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 2579495
N-ethyl-3-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylbenzamide
CID 75422754
N-[2-(4-aminophenyl)ethyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide;hydrochloride
CID 119548480
prop-2-enyl 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylate
CID 78832442

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide?
The IUPAC name of N-ethyl-N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide (CID 78861355) is N-ethyl-N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide?
The canonical SMILES for N-ethyl-N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide is CCN(Cc1ccc(OC)cc1)C(=O)c1cc(C)n(-c2cc(C)on2)c1C.
What is the InChIKey of N-ethyl-N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide?
The InChIKey is HJNDVOMYMQZUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-6-23(13-17-7-9-18(26-5)10-8-17)21(25)19-11-14(2)24(16(19)4)20-12-15(3)27-22-20/h7-12H,6,13H2,1-5H3.
What are the key properties of N-ethyl-N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide?
N-ethyl-N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 78861355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).