N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-oxocyclohexane-1-carboxamide

C13H18N2O3 — CID 112528606

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-oxocyclohexane-1-carboxamide
SMILESCc1noc(C)c1CNC(=O)C1CCC(=O)CC1
InChIInChI=1S/C13H18N2O3/c1-8-12(9(2)18-15-8)7-14-13(17)10-3-5-11(16)6-4-10/h10H,3-7H2,1-2H3,(H,14,17)
InChIKeyUYVQFLQGZMSIKQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.67
Rot. Bonds3

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-oxocyclohexane-1-carboxamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-oxocyclohexane-1-carboxamide (PubChem CID 112528606) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-oxocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-oxocyclohexane-1-carboxamide
PubChem CID112528606
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-oxocyclohexane-1-carboxamide
SMILESCc1noc(C)c1CNC(=O)C1CCC(=O)CC1
InChIInChI=1S/C13H18N2O3/c1-8-12(9(2)18-15-8)7-14-13(17)10-3-5-11(16)6-4-10/h10H,3-7H2,1-2H3,(H,14,17)
InChIKeyUYVQFLQGZMSIKQ-UHFFFAOYSA-N
XLogP1.67
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,3R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092556
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 47864758
3-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclohexane-1-carboxamide
CID 79236689
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentanecarboxamide
CID 110646241
1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 47850579
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138382384
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 95146386
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-ethoxy-2-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-7-carboxamide
CID 154579244
(2R)-2-cyclohexyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 97314346
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methylamino)oxolane-3-carboxamide
CID 79237456
(6R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 125157221
trans-(1S,2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 97314365

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-oxocyclohexane-1-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-oxocyclohexane-1-carboxamide (CID 112528606) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-oxocyclohexane-1-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-oxocyclohexane-1-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-oxocyclohexane-1-carboxamide is Cc1noc(C)c1CNC(=O)C1CCC(=O)CC1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-oxocyclohexane-1-carboxamide?
The InChIKey is UYVQFLQGZMSIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-12(9(2)18-15-8)7-14-13(17)10-3-5-11(16)6-4-10/h10H,3-7H2,1-2H3,(H,14,17).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-oxocyclohexane-1-carboxamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-oxocyclohexane-1-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-oxocyclohexane-1-carboxamide is sourced from PubChem (CID 112528606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).