2-cyclopropyl-1-[6-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]ethanone

C20H29N3O3 — CID 166327831

IUPAC2-cyclopropyl-1-[6-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]ethanone
SMILESCC(C)c1cc(C(=O)N2CCC3C(CCCN3C(=O)CC3CC3)C2)no1
InChIInChI=1S/C20H29N3O3/c1-13(2)18-11-16(21-26-18)20(25)22-9-7-17-15(12-22)4-3-8-23(17)19(24)10-14-5-6-14/h11,13-15,17H,3-10,12H2,1-2H3
InChIKeyCFCAOKXGNNMUOE-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.05
Rot. Bonds4

About 2-cyclopropyl-1-[6-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]ethanone

2-cyclopropyl-1-[6-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]ethanone (PubChem CID 166327831) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-cyclopropyl-1-[6-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[6-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]ethanone
PubChem CID166327831
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name2-cyclopropyl-1-[6-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]ethanone
SMILESCC(C)c1cc(C(=O)N2CCC3C(CCCN3C(=O)CC3CC3)C2)no1
InChIInChI=1S/C20H29N3O3/c1-13(2)18-11-16(21-26-18)20(25)22-9-7-17-15(12-22)4-3-8-23(17)19(24)10-14-5-6-14/h11,13-15,17H,3-10,12H2,1-2H3
InChIKeyCFCAOKXGNNMUOE-UHFFFAOYSA-N
XLogP3.05
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-1-[6-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]ethanone with MolForge

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Related Compounds

(4-propan-2-ylazepan-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 119043032
(3-phenylpyrrolidin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 146230169
N-propan-2-yl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 91953841
[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 118780101
[(3S)-3-(2-methoxyethyl)azepan-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 124727523
[(4aS,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 124860723
[4-(1-adamantyl)piperazin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 56904026
(2S,3S)-2-methyl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylic acid
CID 122116627
[6-(hydroxymethyl)-1,4-oxazepan-4-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 70785207
(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-1,4-diazepan-5-one
CID 95556129
(4-methylsulfonylpiperazin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 75538104
2-[5-[(3R)-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126432962

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[6-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[6-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]ethanone (CID 166327831) is 2-cyclopropyl-1-[6-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[6-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[6-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]ethanone is CC(C)c1cc(C(=O)N2CCC3C(CCCN3C(=O)CC3CC3)C2)no1.
What is the InChIKey of 2-cyclopropyl-1-[6-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]ethanone?
The InChIKey is CFCAOKXGNNMUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-13(2)18-11-16(21-26-18)20(25)22-9-7-17-15(12-22)4-3-8-23(17)19(24)10-14-5-6-14/h11,13-15,17H,3-10,12H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-[6-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]ethanone?
2-cyclopropyl-1-[6-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]ethanone has a molecular weight of 359.47 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[6-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]ethanone is sourced from PubChem (CID 166327831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).