2-(1-aminoethyl)-N-(2,3-dimethylcyclohexyl)-1,3-oxazole-4-carboxamide

C14H23N3O2 — CID 3868928

IUPAC2-(1-aminoethyl)-N-(2,3-dimethylcyclohexyl)-1,3-oxazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)NC2CCCC(C)C2C)co1
InChIInChI=1S/C14H23N3O2/c1-8-5-4-6-11(9(8)2)16-13(18)12-7-19-14(17-12)10(3)15/h7-11H,4-6,15H2,1-3H3,(H,16,18)
InChIKeyDJCFNWDWMQFECY-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.25
Rot. Bonds3

About 2-(1-aminoethyl)-N-(2,3-dimethylcyclohexyl)-1,3-oxazole-4-carboxamide

2-(1-aminoethyl)-N-(2,3-dimethylcyclohexyl)-1,3-oxazole-4-carboxamide (PubChem CID 3868928) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-(2,3-dimethylcyclohexyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-(2,3-dimethylcyclohexyl)-1,3-oxazole-4-carboxamide
PubChem CID3868928
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(1-aminoethyl)-N-(2,3-dimethylcyclohexyl)-1,3-oxazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)NC2CCCC(C)C2C)co1
InChIInChI=1S/C14H23N3O2/c1-8-5-4-6-11(9(8)2)16-13(18)12-7-19-14(17-12)10(3)15/h7-11H,4-6,15H2,1-3H3,(H,16,18)
InChIKeyDJCFNWDWMQFECY-UHFFFAOYSA-N
XLogP2.25
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylpyrazine-2-carboxamide
CID 51969442
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]pyridine-2-carboxamide
CID 11919862
2-(1-aminoethyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-oxazole-4-carboxamide
CID 3868923
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]furan-2-carboxamide
CID 40617423
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylfuran-2-carboxamide
CID 51969450
5-(1-aminoethyl)-N-(2,3-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106967919
(2S)-2-amino-N-(2,3-dimethylcyclohexyl)-3-methylbutanamide
CID 61148874
2-(1-aminobutyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 5156440
4-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride
CID 119676181
N-(2,3-dimethylcyclohexyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112807013
4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide
CID 126843777
N-(2,3-dimethylcyclohexyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
CID 136878699

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-(2,3-dimethylcyclohexyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-(2,3-dimethylcyclohexyl)-1,3-oxazole-4-carboxamide (CID 3868928) is 2-(1-aminoethyl)-N-(2,3-dimethylcyclohexyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-(2,3-dimethylcyclohexyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-(2,3-dimethylcyclohexyl)-1,3-oxazole-4-carboxamide is CC(N)c1nc(C(=O)NC2CCCC(C)C2C)co1.
What is the InChIKey of 2-(1-aminoethyl)-N-(2,3-dimethylcyclohexyl)-1,3-oxazole-4-carboxamide?
The InChIKey is DJCFNWDWMQFECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-8-5-4-6-11(9(8)2)16-13(18)12-7-19-14(17-12)10(3)15/h7-11H,4-6,15H2,1-3H3,(H,16,18).
What are the key properties of 2-(1-aminoethyl)-N-(2,3-dimethylcyclohexyl)-1,3-oxazole-4-carboxamide?
2-(1-aminoethyl)-N-(2,3-dimethylcyclohexyl)-1,3-oxazole-4-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-(2,3-dimethylcyclohexyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3868928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).