[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-morpholin-4-ylmethanone

C14H22N4O3 — CID 97344859

IUPAC[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-morpholin-4-ylmethanone
SMILESCc1nc([C@@H]2CCCCCN2C(=O)N2CCOCC2)no1
InChIInChI=1S/C14H22N4O3/c1-11-15-13(16-21-11)12-5-3-2-4-6-18(12)14(19)17-7-9-20-10-8-17/h12H,2-10H2,1H3/t12-/m0/s1
InChIKeyGFZWYUINANGELG-LBPRGKRZSA-N
MW294.35 g/mol
LogP1.75
Rot. Bonds1

About [(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-morpholin-4-ylmethanone

[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-morpholin-4-ylmethanone (PubChem CID 97344859) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is [(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-morpholin-4-ylmethanone
PubChem CID97344859
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-morpholin-4-ylmethanone
SMILESCc1nc([C@@H]2CCCCCN2C(=O)N2CCOCC2)no1
InChIInChI=1S/C14H22N4O3/c1-11-15-13(16-21-11)12-5-3-2-4-6-18(12)14(19)17-7-9-20-10-8-17/h12H,2-10H2,1H3/t12-/m0/s1
InChIKeyGFZWYUINANGELG-LBPRGKRZSA-N
XLogP1.75
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclobutyl-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95841655
1-[4-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carbonyl]phenyl]ethanone
CID 97345395
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-prop-2-ynylazepane-1-carboxamide
CID 75483929
(2R)-N-(2,6-dimethylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carboxamide
CID 97343637
[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 97345421
(2R)-N-(2,6-difluorophenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carboxamide
CID 97343554
(1-tert-butyl-3-methylpyrazol-4-yl)-[2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 136530038
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(2-methylphenyl)azepane-1-carboxamide
CID 75473868
[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone
CID 97345408
2-[2-(dimethylamino)ethylsulfanyl]-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 154798972
(2R)-N-(4-cyanophenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carboxamide
CID 97343526
[6-(dimethylamino)-3-pyridinyl]-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 97345379

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-morpholin-4-ylmethanone (CID 97344859) is [(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-morpholin-4-ylmethanone is Cc1nc([C@@H]2CCCCCN2C(=O)N2CCOCC2)no1.
What is the InChIKey of [(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-morpholin-4-ylmethanone?
The InChIKey is GFZWYUINANGELG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-11-15-13(16-21-11)12-5-3-2-4-6-18(12)14(19)17-7-9-20-10-8-17/h12H,2-10H2,1H3/t12-/m0/s1.
What are the key properties of [(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-morpholin-4-ylmethanone?
[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-morpholin-4-ylmethanone has a molecular weight of 294.35 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 97344859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).