(2R)-N-(2-fluoro-4-methylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carboxamide

C17H21FN4O2 — CID 97343589

IUPAC(2R)-N-(2-fluoro-4-methylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCCC[C@@H]2c2noc(C)n2)c(F)c1
InChIInChI=1S/C17H21FN4O2/c1-11-7-8-14(13(18)10-11)20-17(23)22-9-5-3-4-6-15(22)16-19-12(2)24-21-16/h7-8,10,15H,3-6,9H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyMLFLFKVMWZGDAZ-OAHLLOKOSA-N
MW332.38 g/mol
LogP3.97
Rot. Bonds2

About (2R)-N-(2-fluoro-4-methylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carboxamide

(2R)-N-(2-fluoro-4-methylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carboxamide (PubChem CID 97343589) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is (2R)-N-(2-fluoro-4-methylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-fluoro-4-methylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carboxamide
PubChem CID97343589
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name(2R)-N-(2-fluoro-4-methylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCCC[C@@H]2c2noc(C)n2)c(F)c1
InChIInChI=1S/C17H21FN4O2/c1-11-7-8-14(13(18)10-11)20-17(23)22-9-5-3-4-6-15(22)16-19-12(2)24-21-16/h7-8,10,15H,3-6,9H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyMLFLFKVMWZGDAZ-OAHLLOKOSA-N
XLogP3.97
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2,6-difluorophenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carboxamide
CID 97343554
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(2-methylphenyl)azepane-1-carboxamide
CID 75473868
(2R)-N-(2,6-dimethylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carboxamide
CID 97343637
(2R)-N-(4-cyanophenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carboxamide
CID 97343526
(2R)-N-(2,4-difluorophenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 93076835
(2R)-N-(2,4-difluorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7301895
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-prop-2-ynylazepane-1-carboxamide
CID 75483929
cyclobutyl-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95841655
N-(2,4-difluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 53009661
1-[4-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carbonyl]phenyl]ethanone
CID 97345395
(2S)-N-(2,4-difluorophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 94080873
(2S)-N-(2-fluoro-4-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111104556

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-fluoro-4-methylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carboxamide?
The IUPAC name of (2R)-N-(2-fluoro-4-methylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carboxamide (CID 97343589) is (2R)-N-(2-fluoro-4-methylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carboxamide.
What is the SMILES notation for (2R)-N-(2-fluoro-4-methylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carboxamide?
The canonical SMILES for (2R)-N-(2-fluoro-4-methylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carboxamide is Cc1ccc(NC(=O)N2CCCCC[C@@H]2c2noc(C)n2)c(F)c1.
What is the InChIKey of (2R)-N-(2-fluoro-4-methylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carboxamide?
The InChIKey is MLFLFKVMWZGDAZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-11-7-8-14(13(18)10-11)20-17(23)22-9-5-3-4-6-15(22)16-19-12(2)24-21-16/h7-8,10,15H,3-6,9H2,1-2H3,(H,20,23)/t15-/m1/s1.
What are the key properties of (2R)-N-(2-fluoro-4-methylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carboxamide?
(2R)-N-(2-fluoro-4-methylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-fluoro-4-methylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carboxamide is sourced from PubChem (CID 97343589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).