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

C20H26N2O2 — CID 24640348

IUPACN-(2-methylcyclohexyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)NC3CCCCC3C)o2)cc1
InChIInChI=1S/C20H26N2O2/c1-14-7-9-16(10-8-14)18-13-21-20(24-18)12-11-19(23)22-17-6-4-3-5-15(17)2/h7-10,13,15,17H,3-6,11-12H2,1-2H3,(H,22,23)
InChIKeyOARRLQGZSJLSMM-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.28
Rot. Bonds5

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

N-(2-methylcyclohexyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 24640348) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID24640348
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-(2-methylcyclohexyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)NC3CCCCC3C)o2)cc1
InChIInChI=1S/C20H26N2O2/c1-14-7-9-16(10-8-14)18-13-21-20(24-18)12-11-19(23)22-17-6-4-3-5-15(17)2/h7-10,13,15,17H,3-6,11-12H2,1-2H3,(H,22,23)
InChIKeyOARRLQGZSJLSMM-UHFFFAOYSA-N
XLogP4.28
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-(2-methylcyclohexyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide (CID 24640348) is N-(2-methylcyclohexyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-(2-methylcyclohexyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide is Cc1ccc(-c2cnc(CCC(=O)NC3CCCCC3C)o2)cc1.
What is the InChIKey of N-(2-methylcyclohexyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is OARRLQGZSJLSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14-7-9-16(10-8-14)18-13-21-20(24-18)12-11-19(23)22-17-6-4-3-5-15(17)2/h7-10,13,15,17H,3-6,11-12H2,1-2H3,(H,22,23).
What are the key properties of N-(2-methylcyclohexyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
N-(2-methylcyclohexyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 326.44 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 24640348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).