3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide

C21H26ClN3O3 — CID 55951696

IUPAC3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCCC(=O)NC1CCCCC1
InChIInChI=1S/C21H26ClN3O3/c22-16-8-6-15(7-9-16)18-14-24-21(28-18)11-10-19(26)23-13-12-20(27)25-17-4-2-1-3-5-17/h6-9,14,17H,1-5,10-13H2,(H,23,26)(H,25,27)
InChIKeyXCGFEKZCQADEKQ-UHFFFAOYSA-N
MW403.91 g/mol
LogP3.88
Rot. Bonds8

About 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide (PubChem CID 55951696) has the molecular formula C21H26ClN3O3 and a molecular weight of 403.91 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide
PubChem CID55951696
Molecular FormulaC21H26ClN3O3
Molecular Weight403.91 g/mol
Exact Mass403.17
IUPAC Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCCC(=O)NC1CCCCC1
InChIInChI=1S/C21H26ClN3O3/c22-16-8-6-15(7-9-16)18-14-24-21(28-18)11-10-19(26)23-13-12-20(27)25-17-4-2-1-3-5-17/h6-9,14,17H,1-5,10-13H2,(H,23,26)(H,25,27)
InChIKeyXCGFEKZCQADEKQ-UHFFFAOYSA-N
XLogP3.88
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(cycloheptylamino)ethyl]propanamide;dihydrochloride
CID 119620079
cis-(1S,3R)-3-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]cyclopentane-1-carboxylic acid
CID 120675943
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 55572146
N-[2-(aminomethyl)cyclohexyl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119610483
N-[2-(cyclopropylamino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 18163915
N-(4-hydroxycyclohexyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 110882855
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;dihydrochloride
CID 120945476
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide
CID 112807624
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 86848666
N-(4-methylcyclohexyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18136349
2-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]-2-methylcyclohexane-1-carboxylic acid
CID 120546374
N-(1-methylpiperidin-4-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30901827

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide?
The IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide (CID 55951696) is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide is O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCCC(=O)NC1CCCCC1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide?
The InChIKey is XCGFEKZCQADEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O3/c22-16-8-6-15(7-9-16)18-14-24-21(28-18)11-10-19(26)23-13-12-20(27)25-17-4-2-1-3-5-17/h6-9,14,17H,1-5,10-13H2,(H,23,26)(H,25,27).
What are the key properties of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide?
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide has a molecular weight of 403.91 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide is sourced from PubChem (CID 55951696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).