N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide

C18H19N3O3 — CID 166396384

IUPACN-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide
SMILESCc1o[nH]c(=O)c1C(=O)NCc1cc(C)n(-c2ccccc2)c1C
InChIInChI=1S/C18H19N3O3/c1-11-9-14(12(2)21(11)15-7-5-4-6-8-15)10-19-17(22)16-13(3)24-20-18(16)23/h4-9H,10H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyAMUPMKMODYCHGB-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.61
Rot. Bonds4

About N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide

N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide (PubChem CID 166396384) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide
PubChem CID166396384
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide
SMILESCc1o[nH]c(=O)c1C(=O)NCc1cc(C)n(-c2ccccc2)c1C
InChIInChI=1S/C18H19N3O3/c1-11-9-14(12(2)21(11)15-7-5-4-6-8-15)10-19-17(22)16-13(3)24-20-18(16)23/h4-9H,10H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyAMUPMKMODYCHGB-UHFFFAOYSA-N
XLogP2.61
TPSA80.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-thiophen-2-ylacetamide
CID 110642169
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]cyclobutanecarboxamide
CID 110642184
2-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylamino]-N,N-dimethylacetamide
CID 43214585
1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-methylmethanamine
CID 43090175
2-chloro-N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 100788331
2-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylamino]propanoic acid
CID 61499817
1-cyclohexyl-3-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]urea
CID 110642175
3-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylamino]propanamide
CID 43553150
4-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylamino]butanamide
CID 60865560
1-(2-chloro-4-methylphenyl)-3-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]urea
CID 20928632
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-methylpropan-2-amine
CID 43154800
2-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylamino]-2-methylbutan-1-ol
CID 64550358

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide (CID 166396384) is N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide is Cc1o[nH]c(=O)c1C(=O)NCc1cc(C)n(-c2ccccc2)c1C.
What is the InChIKey of N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide?
The InChIKey is AMUPMKMODYCHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-11-9-14(12(2)21(11)15-7-5-4-6-8-15)10-19-17(22)16-13(3)24-20-18(16)23/h4-9H,10H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide?
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 166396384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).