N-cyclohexyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide

C13H21N3O2 — CID 109014106

IUPACN-cyclohexyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
SMILESCc1cc(NCCC(=O)NC2CCCCC2)no1
InChIInChI=1S/C13H21N3O2/c1-10-9-12(16-18-10)14-8-7-13(17)15-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyULTMJWFPUIFHSY-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.23
Rot. Bonds5

About N-cyclohexyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide

N-cyclohexyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide (PubChem CID 109014106) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-cyclohexyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
PubChem CID109014106
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-cyclohexyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
SMILESCc1cc(NCCC(=O)NC2CCCCC2)no1
InChIInChI=1S/C13H21N3O2/c1-10-9-12(16-18-10)14-8-7-13(17)15-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyULTMJWFPUIFHSY-UHFFFAOYSA-N
XLogP2.23
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cycloheptylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109031668
2-(cyclohexylamino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 813408
1-cyclododecyl-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812118
N-cyclopentyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996024
1-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
CID 109149703
1-(azepan-1-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one
CID 109033606
2-N-cycloheptyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109139807
3-[(5-methyl-1,2-oxazol-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 109013411
N-cyclohexyl-3-(3,5-dichloroanilino)propanamide
CID 109014092
methyl 3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoate
CID 82316641
N-(cyclohexylmethyl)-5-methyl-1,2-oxazol-3-amine
CID 73349510
3-(3-bromo-4-methylanilino)-N-cyclopentylpropanamide
CID 109013519

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide?
The IUPAC name of N-cyclohexyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide (CID 109014106) is N-cyclohexyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide?
The canonical SMILES for N-cyclohexyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide is Cc1cc(NCCC(=O)NC2CCCCC2)no1.
What is the InChIKey of N-cyclohexyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide?
The InChIKey is ULTMJWFPUIFHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-9-12(16-18-10)14-8-7-13(17)15-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-cyclohexyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide?
N-cyclohexyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide has a molecular weight of 251.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide is sourced from PubChem (CID 109014106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).