(2S)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide

C17H21N3O3 — CID 39508060

IUPAC(2S)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide
SMILESCOc1ccc([C@@H](NC(=O)[C@@H]2CCCO2)c2nccn2C)cc1
InChIInChI=1S/C17H21N3O3/c1-20-10-9-18-16(20)15(12-5-7-13(22-2)8-6-12)19-17(21)14-4-3-11-23-14/h5-10,14-15H,3-4,11H2,1-2H3,(H,19,21)/t14-,15+/m0/s1
InChIKeyMBRHZZMSNMTIMF-LSDHHAIUSA-N
MW315.37 g/mol
LogP1.81
Rot. Bonds5

About (2S)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide

(2S)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide (PubChem CID 39508060) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is (2S)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide
PubChem CID39508060
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name(2S)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide
SMILESCOc1ccc([C@@H](NC(=O)[C@@H]2CCCO2)c2nccn2C)cc1
InChIInChI=1S/C17H21N3O3/c1-20-10-9-18-16(20)15(12-5-7-13(22-2)8-6-12)19-17(21)14-4-3-11-23-14/h5-10,14-15H,3-4,11H2,1-2H3,(H,19,21)/t14-,15+/m0/s1
InChIKeyMBRHZZMSNMTIMF-LSDHHAIUSA-N
XLogP1.81
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-tert-butylphenyl)-(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide
CID 110429521
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 46528505
1-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 94026862
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 46528475
3-cyclopentyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 25346365
1-ethylsulfonyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 17496386
3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea
CID 110429250
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-methylpyridine-3-carboxamide
CID 46451083
N-[cyclopropyl-(4-methoxyphenyl)methyl]oxolane-2-carboxamide
CID 46449818
2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 124818173
N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]adamantane-1-carboxamide
CID 25389534
3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46528524

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide (CID 39508060) is (2S)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide is COc1ccc([C@@H](NC(=O)[C@@H]2CCCO2)c2nccn2C)cc1.
What is the InChIKey of (2S)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide?
The InChIKey is MBRHZZMSNMTIMF-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-20-10-9-18-16(20)15(12-5-7-13(22-2)8-6-12)19-17(21)14-4-3-11-23-14/h5-10,14-15H,3-4,11H2,1-2H3,(H,19,21)/t14-,15+/m0/s1.
What are the key properties of (2S)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide?
(2S)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 39508060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).