3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide

C16H26N2O3 — CID 65123959

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide
SMILESCc1noc(C)c1CCC(=O)NCC1(O)CCCC(C)C1
InChIInChI=1S/C16H26N2O3/c1-11-5-4-8-16(20,9-11)10-17-15(19)7-6-14-12(2)18-21-13(14)3/h11,20H,4-10H2,1-3H3,(H,17,19)
InChIKeyACMUPGYNEJSYMN-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.28
Rot. Bonds5

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide (PubChem CID 65123959) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide
PubChem CID65123959
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide
SMILESCc1noc(C)c1CCC(=O)NCC1(O)CCCC(C)C1
InChIInChI=1S/C16H26N2O3/c1-11-5-4-8-16(20,9-11)10-17-15(19)7-6-14-12(2)18-21-13(14)3/h11,20H,4-10H2,1-3H3,(H,17,19)
InChIKeyACMUPGYNEJSYMN-UHFFFAOYSA-N
XLogP2.28
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-propylpiperidin-4-yl)propanamide
CID 51073428
(3R*,4R*)-1-[3-(3,5-dimethylisoxazol-4-yl)propanoyl]-3,4-dimethylpyrrolidin-3-ol
CID 70754765
N-[1-(cyclohexylmethyl)-5-oxo-3-pyrrolidinyl]-3-(3,5-dimethyl-4-isoxazolyl)propanamide
CID 45242609
5-[3-(3,5-Dimethyl-1,2-oxazol-4-yl)propanoyl]-1,5-diazacycloundecan-2-one
CID 110201433
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N,N-diethylcyclohexane-1-carboxamide
CID 51090731
N-(2-butylcyclopentyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 53540684
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-methoxypropan-2-yl]propanamide
CID 93605091
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S)-1-methylpiperidin-3-yl]propanamide
CID 94194350
4-{[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamido]methyl}-N,N-dimethylpiperidine-1-carboxamide
CID 119103252
(2S,3S)-2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]amino]-3-methylpentanoic acid
CID 121557558
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide
CID 43046808
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 45497131

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide (CID 65123959) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide is Cc1noc(C)c1CCC(=O)NCC1(O)CCCC(C)C1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide?
The InChIKey is ACMUPGYNEJSYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11-5-4-8-16(20,9-11)10-17-15(19)7-6-14-12(2)18-21-13(14)3/h11,20H,4-10H2,1-3H3,(H,17,19).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide has a molecular weight of 294.39 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide is sourced from PubChem (CID 65123959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).