N-[4-(1-methylimidazole-2-carbonyl)phenyl]oxolane-2-carboxamide

C16H17N3O3 — CID 51187686

IUPACN-[4-(1-methylimidazole-2-carbonyl)phenyl]oxolane-2-carboxamide
SMILESCn1ccnc1C(=O)c1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C16H17N3O3/c1-19-9-8-17-15(19)14(20)11-4-6-12(7-5-11)18-16(21)13-3-2-10-22-13/h4-9,13H,2-3,10H2,1H3,(H,18,21)
InChIKeyBCKQXCMHHGTTON-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.77
Rot. Bonds4

About N-[4-(1-methylimidazole-2-carbonyl)phenyl]oxolane-2-carboxamide

N-[4-(1-methylimidazole-2-carbonyl)phenyl]oxolane-2-carboxamide (PubChem CID 51187686) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[4-(1-methylimidazole-2-carbonyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1-methylimidazole-2-carbonyl)phenyl]oxolane-2-carboxamide
PubChem CID51187686
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-[4-(1-methylimidazole-2-carbonyl)phenyl]oxolane-2-carboxamide
SMILESCn1ccnc1C(=O)c1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C16H17N3O3/c1-19-9-8-17-15(19)14(20)11-4-6-12(7-5-11)18-16(21)13-3-2-10-22-13/h4-9,13H,2-3,10H2,1H3,(H,18,21)
InChIKeyBCKQXCMHHGTTON-UHFFFAOYSA-N
XLogP1.77
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-benzoylphenyl)oxolane-2-carboxamide
CID 11839657
methyl 4-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 1086797
N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-4-carboxamide
CID 17414915
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]oxolane-2-carboxamide
CID 131950649
N-phenyloxolane-2-carboxamide
CID 3453643
3,5-dimethyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 51187656
(2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide
CID 40572409
N-[4-(3-methylpyrazol-1-yl)phenyl]oxolane-2-carboxamide
CID 45154182
5-methyl-N-[4-[[(2S)-oxolane-2-carbonyl]amino]phenyl]pyrazine-2-carboxamide
CID 37396639
4-methoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 17427516
1-(4-chlorophenyl)sulfonyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]piperidine-3-carboxamide
CID 24622651

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylimidazole-2-carbonyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-(1-methylimidazole-2-carbonyl)phenyl]oxolane-2-carboxamide (CID 51187686) is N-[4-(1-methylimidazole-2-carbonyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-(1-methylimidazole-2-carbonyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-(1-methylimidazole-2-carbonyl)phenyl]oxolane-2-carboxamide is Cn1ccnc1C(=O)c1ccc(NC(=O)C2CCCO2)cc1.
What is the InChIKey of N-[4-(1-methylimidazole-2-carbonyl)phenyl]oxolane-2-carboxamide?
The InChIKey is BCKQXCMHHGTTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-19-9-8-17-15(19)14(20)11-4-6-12(7-5-11)18-16(21)13-3-2-10-22-13/h4-9,13H,2-3,10H2,1H3,(H,18,21).
What are the key properties of N-[4-(1-methylimidazole-2-carbonyl)phenyl]oxolane-2-carboxamide?
N-[4-(1-methylimidazole-2-carbonyl)phenyl]oxolane-2-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylimidazole-2-carbonyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 51187686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).