1-cyclopropyl-5-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pentane-1,5-dione

C19H29N3O3 — CID 166235513

IUPAC1-cyclopropyl-5-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pentane-1,5-dione
SMILESCC(C)c1nc(C2CCCCCN2C(=O)CCCC(=O)C2CC2)no1
InChIInChI=1S/C19H29N3O3/c1-13(2)19-20-18(21-25-19)15-7-4-3-5-12-22(15)17(24)9-6-8-16(23)14-10-11-14/h13-15H,3-12H2,1-2H3
InChIKeyNAMFLWJSCATEEH-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.79
Rot. Bonds7

About 1-cyclopropyl-5-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pentane-1,5-dione

1-cyclopropyl-5-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pentane-1,5-dione (PubChem CID 166235513) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-cyclopropyl-5-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pentane-1,5-dione.

Molecular Properties

Compound Name1-cyclopropyl-5-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pentane-1,5-dione
PubChem CID166235513
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-cyclopropyl-5-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pentane-1,5-dione
SMILESCC(C)c1nc(C2CCCCCN2C(=O)CCCC(=O)C2CC2)no1
InChIInChI=1S/C19H29N3O3/c1-13(2)19-20-18(21-25-19)15-7-4-3-5-12-22(15)17(24)9-6-8-16(23)14-10-11-14/h13-15H,3-12H2,1-2H3
InChIKeyNAMFLWJSCATEEH-UHFFFAOYSA-N
XLogP3.79
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 95779546
2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethanone
CID 164642495
3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 136511978
2-(4-acetyltriazol-1-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethanone
CID 136546047
1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 95779586
[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-2-ylmethanone
CID 97345487
[5-(methoxymethyl)furan-2-yl]-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 97345500
3-piperidin-4-yl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119767317
[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone
CID 75475057
2-(2,3-dihydro-1H-inden-5-yl)-1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 95779584
(2-fluoro-4-pyridinyl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 97345492
2-indol-1-yl-1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 95779588

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pentane-1,5-dione?
The IUPAC name of 1-cyclopropyl-5-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pentane-1,5-dione (CID 166235513) is 1-cyclopropyl-5-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pentane-1,5-dione.
What is the SMILES notation for 1-cyclopropyl-5-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pentane-1,5-dione?
The canonical SMILES for 1-cyclopropyl-5-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pentane-1,5-dione is CC(C)c1nc(C2CCCCCN2C(=O)CCCC(=O)C2CC2)no1.
What is the InChIKey of 1-cyclopropyl-5-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pentane-1,5-dione?
The InChIKey is NAMFLWJSCATEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-13(2)19-20-18(21-25-19)15-7-4-3-5-12-22(15)17(24)9-6-8-16(23)14-10-11-14/h13-15H,3-12H2,1-2H3.
What are the key properties of 1-cyclopropyl-5-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pentane-1,5-dione?
1-cyclopropyl-5-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pentane-1,5-dione has a molecular weight of 347.46 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pentane-1,5-dione is sourced from PubChem (CID 166235513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).