(4R)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylazepane-1-carboxamide

C18H23FN4O2 — CID 94337405

IUPAC(4R)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylazepane-1-carboxamide
SMILESC[C@@H]1CCCN(C(=O)N[C@@H](C)c2nc(-c3ccc(F)cc3)no2)CC1
InChIInChI=1S/C18H23FN4O2/c1-12-4-3-10-23(11-9-12)18(24)20-13(2)17-21-16(22-25-17)14-5-7-15(19)8-6-14/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,20,24)/t12-,13+/m1/s1
InChIKeyKROUDSGPYCGINP-OLZOCXBDSA-N
MW346.41 g/mol
LogP3.77
Rot. Bonds3

About (4R)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylazepane-1-carboxamide

(4R)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylazepane-1-carboxamide (PubChem CID 94337405) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is (4R)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylazepane-1-carboxamide.

Molecular Properties

Compound Name(4R)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylazepane-1-carboxamide
PubChem CID94337405
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name(4R)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylazepane-1-carboxamide
SMILESC[C@@H]1CCCN(C(=O)N[C@@H](C)c2nc(-c3ccc(F)cc3)no2)CC1
InChIInChI=1S/C18H23FN4O2/c1-12-4-3-10-23(11-9-12)18(24)20-13(2)17-21-16(22-25-17)14-5-7-15(19)8-6-14/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,20,24)/t12-,13+/m1/s1
InChIKeyKROUDSGPYCGINP-OLZOCXBDSA-N
XLogP3.77
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpiperidine-1-carboxamide
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N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylcyclopentane-1-carboxamide
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4-fluoro-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101349
1-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122006706
(4R)-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-oxoimidazolidine-4-carboxamide
CID 97089592
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 50828722
1-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(3-methylbutan-2-yl)urea
CID 49261280
N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-oxo-1,4-diazepane-1-carboxamide
CID 124507745
N-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-oxo-1,4-diazepane-1-carboxamide
CID 124507744
1-cyclopropyl-3-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiourea
CID 95593483
N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylmorpholine-4-carboxamide
CID 71989743
2-ethyl-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide
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Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylazepane-1-carboxamide?
The IUPAC name of (4R)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylazepane-1-carboxamide (CID 94337405) is (4R)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylazepane-1-carboxamide.
What is the SMILES notation for (4R)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylazepane-1-carboxamide?
The canonical SMILES for (4R)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylazepane-1-carboxamide is C[C@@H]1CCCN(C(=O)N[C@@H](C)c2nc(-c3ccc(F)cc3)no2)CC1.
What is the InChIKey of (4R)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylazepane-1-carboxamide?
The InChIKey is KROUDSGPYCGINP-OLZOCXBDSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-12-4-3-10-23(11-9-12)18(24)20-13(2)17-21-16(22-25-17)14-5-7-15(19)8-6-14/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,20,24)/t12-,13+/m1/s1.
What are the key properties of (4R)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylazepane-1-carboxamide?
(4R)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylazepane-1-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylazepane-1-carboxamide is sourced from PubChem (CID 94337405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).