(5S)-5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylamino]-1-(cyclopropylmethyl)azepan-2-one

C18H28N4O2 — CID 95196636

IUPAC(5S)-5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylamino]-1-(cyclopropylmethyl)azepan-2-one
SMILESO=C1CC[C@H](NCc2noc(C3CCCC3)n2)CCN1CC1CC1
InChIInChI=1S/C18H28N4O2/c23-17-8-7-15(9-10-22(17)12-13-5-6-13)19-11-16-20-18(24-21-16)14-3-1-2-4-14/h13-15,19H,1-12H2/t15-/m0/s1
InChIKeyVTJIDDKTZMQEMP-HNNXBMFYSA-N
MW332.45 g/mol
LogP2.61
Rot. Bonds6

About (5S)-5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylamino]-1-(cyclopropylmethyl)azepan-2-one

(5S)-5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylamino]-1-(cyclopropylmethyl)azepan-2-one (PubChem CID 95196636) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is (5S)-5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylamino]-1-(cyclopropylmethyl)azepan-2-one.

Molecular Properties

Compound Name(5S)-5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylamino]-1-(cyclopropylmethyl)azepan-2-one
PubChem CID95196636
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name(5S)-5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylamino]-1-(cyclopropylmethyl)azepan-2-one
SMILESO=C1CC[C@H](NCc2noc(C3CCCC3)n2)CCN1CC1CC1
InChIInChI=1S/C18H28N4O2/c23-17-8-7-15(9-10-22(17)12-13-5-6-13)19-11-16-20-18(24-21-16)14-3-1-2-4-14/h13-15,19H,1-12H2/t15-/m0/s1
InChIKeyVTJIDDKTZMQEMP-HNNXBMFYSA-N
XLogP2.61
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5S)-5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylamino]-1-(cyclopropylmethyl)azepan-2-one with MolForge

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Related Compounds

[4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylamino]piperidin-1-yl]-phenylmethanone
CID 50953481
(5S)-1-(cyclohexylmethyl)-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97154324
1-(cyclohexylmethyl)-5-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 72941264
N-(cyclopropylmethyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119926550
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine
CID 62343969
1-(cyclopropylmethyl)-5-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]azepan-2-one
CID 50981127
3-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methylamino]-4,4-dimethylpyrrolidin-2-one
CID 146139422
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 62342162
N-[[5-(1,1-dioxothian-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 113422427
N-[[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 107182943
(3R)-N-(cyclopropylmethyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 95295290
(3R)-N-(cyclopentylmethyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 95337828

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylamino]-1-(cyclopropylmethyl)azepan-2-one?
The IUPAC name of (5S)-5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylamino]-1-(cyclopropylmethyl)azepan-2-one (CID 95196636) is (5S)-5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylamino]-1-(cyclopropylmethyl)azepan-2-one.
What is the SMILES notation for (5S)-5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylamino]-1-(cyclopropylmethyl)azepan-2-one?
The canonical SMILES for (5S)-5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylamino]-1-(cyclopropylmethyl)azepan-2-one is O=C1CC[C@H](NCc2noc(C3CCCC3)n2)CCN1CC1CC1.
What is the InChIKey of (5S)-5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylamino]-1-(cyclopropylmethyl)azepan-2-one?
The InChIKey is VTJIDDKTZMQEMP-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N4O2/c23-17-8-7-15(9-10-22(17)12-13-5-6-13)19-11-16-20-18(24-21-16)14-3-1-2-4-14/h13-15,19H,1-12H2/t15-/m0/s1.
What are the key properties of (5S)-5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylamino]-1-(cyclopropylmethyl)azepan-2-one?
(5S)-5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylamino]-1-(cyclopropylmethyl)azepan-2-one has a molecular weight of 332.45 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylamino]-1-(cyclopropylmethyl)azepan-2-one is sourced from PubChem (CID 95196636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).