(2R)-N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-methylazepane-2-carboxamide

C18H22ClN3O2 — CID 97187936

IUPAC(2R)-N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-methylazepane-2-carboxamide
SMILESCN1CCCCC[C@@H]1C(=O)NCc1cc(-c2ccccc2Cl)on1
InChIInChI=1S/C18H22ClN3O2/c1-22-10-6-2-3-9-16(22)18(23)20-12-13-11-17(24-21-13)14-7-4-5-8-15(14)19/h4-5,7-8,11,16H,2-3,6,9-10,12H2,1H3,(H,20,23)/t16-/m1/s1
InChIKeyKIZFKWSRDVEIKW-MRXNPFEDSA-N
MW347.85 g/mol
LogP3.49
Rot. Bonds4

About (2R)-N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-methylazepane-2-carboxamide

(2R)-N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-methylazepane-2-carboxamide (PubChem CID 97187936) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is (2R)-N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-methylazepane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-methylazepane-2-carboxamide
PubChem CID97187936
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name(2R)-N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-methylazepane-2-carboxamide
SMILESCN1CCCCC[C@@H]1C(=O)NCc1cc(-c2ccccc2Cl)on1
InChIInChI=1S/C18H22ClN3O2/c1-22-10-6-2-3-9-16(22)18(23)20-12-13-11-17(24-21-13)14-7-4-5-8-15(14)19/h4-5,7-8,11,16H,2-3,6,9-10,12H2,1H3,(H,20,23)/t16-/m1/s1
InChIKeyKIZFKWSRDVEIKW-MRXNPFEDSA-N
XLogP3.49
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-methylpiperidine-2-carboxamide
CID 110851383
1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]azepane-2-carboxamide
CID 72916172
(2R)-1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]azepane-2-carboxamide
CID 97145298
N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylpiperazine-1-carboxamide
CID 122569549
(3R,6S)-N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-6-(dimethylamino)-1-methylazepane-3-carboxamide
CID 165425044
1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 51070682
(2R)-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methylazepane-2-carboxamide
CID 97193200
N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide
CID 27370057
N-[(3,4-difluorophenyl)methyl]-1-methylazepane-2-carboxamide
CID 72877122
N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]cyclohexanecarboxamide
CID 16866590
N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 56750539
(2R)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-1-methylazepane-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-methylazepane-2-carboxamide?
The IUPAC name of (2R)-N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-methylazepane-2-carboxamide (CID 97187936) is (2R)-N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-methylazepane-2-carboxamide.
What is the SMILES notation for (2R)-N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-methylazepane-2-carboxamide?
The canonical SMILES for (2R)-N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-methylazepane-2-carboxamide is CN1CCCCC[C@@H]1C(=O)NCc1cc(-c2ccccc2Cl)on1.
What is the InChIKey of (2R)-N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-methylazepane-2-carboxamide?
The InChIKey is KIZFKWSRDVEIKW-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-22-10-6-2-3-9-16(22)18(23)20-12-13-11-17(24-21-13)14-7-4-5-8-15(14)19/h4-5,7-8,11,16H,2-3,6,9-10,12H2,1H3,(H,20,23)/t16-/m1/s1.
What are the key properties of (2R)-N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-methylazepane-2-carboxamide?
(2R)-N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-methylazepane-2-carboxamide has a molecular weight of 347.85 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-methylazepane-2-carboxamide is sourced from PubChem (CID 97187936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).