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

C18H16ClN3O2 — CID 18136270

IUPAC3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(pyridin-4-ylmethyl)propanamide
SMILESO=C(CCc1ncc(-c2ccccc2Cl)o1)NCc1ccncc1
InChIInChI=1S/C18H16ClN3O2/c19-15-4-2-1-3-14(15)16-12-22-18(24-16)6-5-17(23)21-11-13-7-9-20-10-8-13/h1-4,7-10,12H,5-6,11H2,(H,21,23)
InChIKeyZOPFWDXWIDSDBQ-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.64
Rot. Bonds6

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

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 18136270) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(pyridin-4-ylmethyl)propanamide
PubChem CID18136270
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(pyridin-4-ylmethyl)propanamide
SMILESO=C(CCc1ncc(-c2ccccc2Cl)o1)NCc1ccncc1
InChIInChI=1S/C18H16ClN3O2/c19-15-4-2-1-3-14(15)16-12-22-18(24-16)6-5-17(23)21-11-13-7-9-20-10-8-13/h1-4,7-10,12H,5-6,11H2,(H,21,23)
InChIKeyZOPFWDXWIDSDBQ-UHFFFAOYSA-N
XLogP3.64
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(pyridin-4-ylmethyl)propanamide (CID 18136270) is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(pyridin-4-ylmethyl)propanamide is O=C(CCc1ncc(-c2ccccc2Cl)o1)NCc1ccncc1.
What is the InChIKey of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is ZOPFWDXWIDSDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c19-15-4-2-1-3-14(15)16-12-22-18(24-16)6-5-17(23)21-11-13-7-9-20-10-8-13/h1-4,7-10,12H,5-6,11H2,(H,21,23).
What are the key properties of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(pyridin-4-ylmethyl)propanamide?
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 341.80 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 18136270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).