N-[4-(5-methyl-1H-imidazol-4-yl)phenyl]oxolane-2-carboxamide

C15H17N3O2 — CID 110735670

IUPACN-[4-(5-methyl-1H-imidazol-4-yl)phenyl]oxolane-2-carboxamide
SMILESCc1[nH]cnc1-c1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C15H17N3O2/c1-10-14(17-9-16-10)11-4-6-12(7-5-11)18-15(19)13-3-2-8-20-13/h4-7,9,13H,2-3,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyKCGGBUIVOAEUOO-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.50
Rot. Bonds3

About N-[4-(5-methyl-1H-imidazol-4-yl)phenyl]oxolane-2-carboxamide

N-[4-(5-methyl-1H-imidazol-4-yl)phenyl]oxolane-2-carboxamide (PubChem CID 110735670) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[4-(5-methyl-1H-imidazol-4-yl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(5-methyl-1H-imidazol-4-yl)phenyl]oxolane-2-carboxamide
PubChem CID110735670
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-[4-(5-methyl-1H-imidazol-4-yl)phenyl]oxolane-2-carboxamide
SMILESCc1[nH]cnc1-c1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C15H17N3O2/c1-10-14(17-9-16-10)11-4-6-12(7-5-11)18-15(19)13-3-2-8-20-13/h4-7,9,13H,2-3,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyKCGGBUIVOAEUOO-UHFFFAOYSA-N
XLogP2.50
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[4-[[(2S)-oxolane-2-carbonyl]amino]phenyl]pyrazine-2-carboxamide
CID 37396639
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
N-[4-(3,5-dimethylanilino)phenyl]oxolane-2-carboxamide
CID 112986386
N-[4-[[2-(methylamino)acetyl]amino]phenyl]oxolane-2-carboxamide
CID 119711447
N-phenyloxolane-2-carboxamide
CID 3453643
methyl 4-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 1086797
(2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide
CID 40572409
(2S)-N-[4-(1,3-oxazol-5-yl)phenyl]oxolane-2-carboxamide
CID 99699200
N-[4-(3,4-dimethylanilino)phenyl]oxolane-2-carboxamide
CID 112986357
(2S)-N-(6-methoxy-3-pyridinyl)oxolane-2-carboxamide
CID 34666491
N-(4-anilinophenyl)oxolane-2-carboxamide
CID 4690010
(2R)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 27234089

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methyl-1H-imidazol-4-yl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-(5-methyl-1H-imidazol-4-yl)phenyl]oxolane-2-carboxamide (CID 110735670) is N-[4-(5-methyl-1H-imidazol-4-yl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-(5-methyl-1H-imidazol-4-yl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-(5-methyl-1H-imidazol-4-yl)phenyl]oxolane-2-carboxamide is Cc1[nH]cnc1-c1ccc(NC(=O)C2CCCO2)cc1.
What is the InChIKey of N-[4-(5-methyl-1H-imidazol-4-yl)phenyl]oxolane-2-carboxamide?
The InChIKey is KCGGBUIVOAEUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-14(17-9-16-10)11-4-6-12(7-5-11)18-15(19)13-3-2-8-20-13/h4-7,9,13H,2-3,8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of N-[4-(5-methyl-1H-imidazol-4-yl)phenyl]oxolane-2-carboxamide?
N-[4-(5-methyl-1H-imidazol-4-yl)phenyl]oxolane-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methyl-1H-imidazol-4-yl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 110735670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).