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

C16H25N3O3 — CID 75461938

IUPAC1-acetamido-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide
SMILESCC(=O)NC1(C(=O)N(C)Cc2c(C)noc2C)CCCCC1
InChIInChI=1S/C16H25N3O3/c1-11-14(12(2)22-18-11)10-19(4)15(21)16(17-13(3)20)8-6-5-7-9-16/h5-10H2,1-4H3,(H,17,20)
InChIKeyZZUKVUGHJMRPMI-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.09
Rot. Bonds4

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

1-acetamido-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide (PubChem CID 75461938) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-acetamido-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-acetamido-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide
PubChem CID75461938
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name1-acetamido-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide
SMILESCC(=O)NC1(C(=O)N(C)Cc2c(C)noc2C)CCCCC1
InChIInChI=1S/C16H25N3O3/c1-11-14(12(2)22-18-11)10-19(4)15(21)16(17-13(3)20)8-6-5-7-9-16/h5-10H2,1-4H3,(H,17,20)
InChIKeyZZUKVUGHJMRPMI-UHFFFAOYSA-N
XLogP2.09
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide
CID 46942636
3-((3,5-Dimethylisoxazol-4-yl)methyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 2363815
N-(2-(Dimethylamino)ethyl)-3-ethyl-5-methylisoxazole-4-carboxamide
CID 1245014
3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 30478640
3-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 39513620
3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 47010153
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(methanesulfonamido)cyclohexane-1-carboxamide
CID 47865915
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(methanesulfonamido)-N-methylcyclohexane-1-carboxamide
CID 48178081
2-[4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]piperidin-1-yl]-N-methylacetamide
CID 51084619
N-[2-(dimethylamino)propyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 53518714
3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 71940638
1-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide
CID 75461428

Frequently Asked Questions

What is the IUPAC name of 1-acetamido-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-acetamido-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide (CID 75461938) is 1-acetamido-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-acetamido-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-acetamido-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide is CC(=O)NC1(C(=O)N(C)Cc2c(C)noc2C)CCCCC1.
What is the InChIKey of 1-acetamido-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide?
The InChIKey is ZZUKVUGHJMRPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-11-14(12(2)22-18-11)10-19(4)15(21)16(17-13(3)20)8-6-5-7-9-16/h5-10H2,1-4H3,(H,17,20).
What are the key properties of 1-acetamido-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide?
1-acetamido-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 75461938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).