N-benzyl-N-(2-methoxyethyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide

C21H25N3O3 — CID 30889510

IUPACN-benzyl-N-(2-methoxyethyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
SMILESCOCCN(Cc1ccccc1)C(=O)c1cc(C)n(-c2cc(C)on2)c1C
InChIInChI=1S/C21H25N3O3/c1-15-12-19(17(3)24(15)20-13-16(2)27-22-20)21(25)23(10-11-26-4)14-18-8-6-5-7-9-18/h5-9,12-13H,10-11,14H2,1-4H3
InChIKeyXKJAWJSDKWLIIE-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.68
Rot. Bonds7

About N-benzyl-N-(2-methoxyethyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide

N-benzyl-N-(2-methoxyethyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide (PubChem CID 30889510) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-benzyl-N-(2-methoxyethyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-methoxyethyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
PubChem CID30889510
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-benzyl-N-(2-methoxyethyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
SMILESCOCCN(Cc1ccccc1)C(=O)c1cc(C)n(-c2cc(C)on2)c1C
InChIInChI=1S/C21H25N3O3/c1-15-12-19(17(3)24(15)20-13-16(2)27-22-20)21(25)23(10-11-26-4)14-18-8-6-5-7-9-18/h5-9,12-13H,10-11,14H2,1-4H3
InChIKeyXKJAWJSDKWLIIE-UHFFFAOYSA-N
XLogP3.68
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 78861355
2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethoxypyrrole-3-carboxamide
CID 32580386
N-(2-methoxyethyl)-2,5-dimethyl-1-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 55980400
[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 7826685
N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]pyrrole-3-carboxamide
CID 30091933
2-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]amino]-4-methoxybutanoic acid
CID 120702759
N-(1,3-benzodioxol-5-ylmethyl)-N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 30134507
N-benzyl-N-(2-bromoethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 80661970
N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)benzamide
CID 26292074
N-benzyl-2-bromo-N-(2-methoxyethyl)furan-3-carboxamide
CID 106853333
2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(1-phenylbutyl)pyrrole-3-carboxamide
CID 112811994
(3-phenyl-1,2-oxazol-5-yl)methyl 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylate
CID 30036525

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-methoxyethyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide?
The IUPAC name of N-benzyl-N-(2-methoxyethyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide (CID 30889510) is N-benzyl-N-(2-methoxyethyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-methoxyethyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide?
The canonical SMILES for N-benzyl-N-(2-methoxyethyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide is COCCN(Cc1ccccc1)C(=O)c1cc(C)n(-c2cc(C)on2)c1C.
What is the InChIKey of N-benzyl-N-(2-methoxyethyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide?
The InChIKey is XKJAWJSDKWLIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15-12-19(17(3)24(15)20-13-16(2)27-22-20)21(25)23(10-11-26-4)14-18-8-6-5-7-9-18/h5-9,12-13H,10-11,14H2,1-4H3.
What are the key properties of N-benzyl-N-(2-methoxyethyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide?
N-benzyl-N-(2-methoxyethyl)-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 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-methoxyethyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 30889510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).