N-cyclohexyl-N-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide

C16H23N3O3 — CID 90511305

IUPACN-cyclohexyl-N-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
SMILESCc1cc(C(=O)N2CC(C(=O)N(C)C3CCCCC3)C2)no1
InChIInChI=1S/C16H23N3O3/c1-11-8-14(17-22-11)16(21)19-9-12(10-19)15(20)18(2)13-6-4-3-5-7-13/h8,12-13H,3-7,9-10H2,1-2H3
InChIKeyGKCJFANUMRJLQY-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.85
Rot. Bonds3

About N-cyclohexyl-N-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide

N-cyclohexyl-N-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide (PubChem CID 90511305) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
PubChem CID90511305
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-cyclohexyl-N-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
SMILESCc1cc(C(=O)N2CC(C(=O)N(C)C3CCCCC3)C2)no1
InChIInChI=1S/C16H23N3O3/c1-11-8-14(17-22-11)16(21)19-9-12(10-19)15(20)18(2)13-6-4-3-5-7-13/h8,12-13H,3-7,9-10H2,1-2H3
InChIKeyGKCJFANUMRJLQY-UHFFFAOYSA-N
XLogP1.85
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methyl-1,2-oxazole-3-carbonyl)-N,N-bis(prop-2-enyl)azetidine-3-carboxamide
CID 90511554
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129366335
(3,5-dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51072597
(4-chloropiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 66155616
methyl 1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate
CID 78919150
(4-cyclopentylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 121184683
(3aR,7aS)-5-methyl-2-(5-methyl-1,2-oxazole-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 138380797
(3-chloro-4-methylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 102961313
[1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 90511562
(4-bromopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 80662471
(4-methoxy-3,5-dimethylphenyl)-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 24793854
N-(3,5-dichlorophenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511531

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-N-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide (CID 90511305) is N-cyclohexyl-N-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-N-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide is Cc1cc(C(=O)N2CC(C(=O)N(C)C3CCCCC3)C2)no1.
What is the InChIKey of N-cyclohexyl-N-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide?
The InChIKey is GKCJFANUMRJLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11-8-14(17-22-11)16(21)19-9-12(10-19)15(20)18(2)13-6-4-3-5-7-13/h8,12-13H,3-7,9-10H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide?
N-cyclohexyl-N-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 90511305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).