2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethoxypyrrole-3-carboxamide

C18H19N3O3 — CID 32580386

IUPAC2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethoxypyrrole-3-carboxamide
SMILESCc1cc(-n2c(C)cc(C(=O)NOCc3ccccc3)c2C)no1
InChIInChI=1S/C18H19N3O3/c1-12-9-16(14(3)21(12)17-10-13(2)24-19-17)18(22)20-23-11-15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyLVGLYLMMFKPWDZ-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.25
Rot. Bonds5

About 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethoxypyrrole-3-carboxamide

2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethoxypyrrole-3-carboxamide (PubChem CID 32580386) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethoxypyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethoxypyrrole-3-carboxamide
PubChem CID32580386
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethoxypyrrole-3-carboxamide
SMILESCc1cc(-n2c(C)cc(C(=O)NOCc3ccccc3)c2C)no1
InChIInChI=1S/C18H19N3O3/c1-12-9-16(14(3)21(12)17-10-13(2)24-19-17)18(22)20-23-11-15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyLVGLYLMMFKPWDZ-UHFFFAOYSA-N
XLogP3.25
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-1-phenyl-N-phenylmethoxypyrrole-3-carboxamide
CID 32577143
[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 7826685
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-N-phenylmethoxypyrrole-3-carboxamide
CID 55567277
N-benzyl-N-(2-methoxyethyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 30889510
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
2-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]amino]-2-phenylbutanoic acid
CID 119201733
3-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid
CID 119218690
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
N-[2-(2,6-dimethylphenoxy)ethyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 78876067
2-[3-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]amino]phenoxy]acetic acid
CID 75417918

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethoxypyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethoxypyrrole-3-carboxamide (CID 32580386) is 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethoxypyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethoxypyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethoxypyrrole-3-carboxamide is Cc1cc(-n2c(C)cc(C(=O)NOCc3ccccc3)c2C)no1.
What is the InChIKey of 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethoxypyrrole-3-carboxamide?
The InChIKey is LVGLYLMMFKPWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12-9-16(14(3)21(12)17-10-13(2)24-19-17)18(22)20-23-11-15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,20,22).
What are the key properties of 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethoxypyrrole-3-carboxamide?
2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethoxypyrrole-3-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethoxypyrrole-3-carboxamide is sourced from PubChem (CID 32580386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).