3-[4-(4-chlorophenyl)-2-morpholin-4-yl-1,3-oxazol-5-yl]propanamide

C16H18ClN3O3 — CID 21088642

IUPAC3-[4-(4-chlorophenyl)-2-morpholin-4-yl-1,3-oxazol-5-yl]propanamide
SMILESNC(=O)CCc1oc(N2CCOCC2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3O3/c17-12-3-1-11(2-4-12)15-13(5-6-14(18)21)23-16(19-15)20-7-9-22-10-8-20/h1-4H,5-10H2,(H2,18,21)
InChIKeyKEBNIXLKKHCQOQ-UHFFFAOYSA-N
MW335.79 g/mol
LogP2.25
Rot. Bonds5

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

3-[4-(4-chlorophenyl)-2-morpholin-4-yl-1,3-oxazol-5-yl]propanamide (PubChem CID 21088642) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)-2-morpholin-4-yl-1,3-oxazol-5-yl]propanamide.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)-2-morpholin-4-yl-1,3-oxazol-5-yl]propanamide
PubChem CID21088642
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Name3-[4-(4-chlorophenyl)-2-morpholin-4-yl-1,3-oxazol-5-yl]propanamide
SMILESNC(=O)CCc1oc(N2CCOCC2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3O3/c17-12-3-1-11(2-4-12)15-13(5-6-14(18)21)23-16(19-15)20-7-9-22-10-8-20/h1-4H,5-10H2,(H2,18,21)
InChIKeyKEBNIXLKKHCQOQ-UHFFFAOYSA-N
XLogP2.25
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-(4-chlorophenyl)-2-morpholin-4-yl-1,3-oxazol-5-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)-2-morpholin-4-yl-1,3-oxazol-5-yl]propanamide?
The IUPAC name of 3-[4-(4-chlorophenyl)-2-morpholin-4-yl-1,3-oxazol-5-yl]propanamide (CID 21088642) is 3-[4-(4-chlorophenyl)-2-morpholin-4-yl-1,3-oxazol-5-yl]propanamide.
What is the SMILES notation for 3-[4-(4-chlorophenyl)-2-morpholin-4-yl-1,3-oxazol-5-yl]propanamide?
The canonical SMILES for 3-[4-(4-chlorophenyl)-2-morpholin-4-yl-1,3-oxazol-5-yl]propanamide is NC(=O)CCc1oc(N2CCOCC2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-[4-(4-chlorophenyl)-2-morpholin-4-yl-1,3-oxazol-5-yl]propanamide?
The InChIKey is KEBNIXLKKHCQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c17-12-3-1-11(2-4-12)15-13(5-6-14(18)21)23-16(19-15)20-7-9-22-10-8-20/h1-4H,5-10H2,(H2,18,21).
What are the key properties of 3-[4-(4-chlorophenyl)-2-morpholin-4-yl-1,3-oxazol-5-yl]propanamide?
3-[4-(4-chlorophenyl)-2-morpholin-4-yl-1,3-oxazol-5-yl]propanamide has a molecular weight of 335.79 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)-2-morpholin-4-yl-1,3-oxazol-5-yl]propanamide is sourced from PubChem (CID 21088642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).