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

C19H18ClN3O2 — CID 18163149

IUPAC3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(1-pyridin-3-ylethyl)propanamide
SMILESCC(NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1cccnc1
InChIInChI=1S/C19H18ClN3O2/c1-13(14-5-4-10-21-11-14)23-18(24)8-9-19-22-12-17(25-19)15-6-2-3-7-16(15)20/h2-7,10-13H,8-9H2,1H3,(H,23,24)
InChIKeyMASFSSKWSMVFDV-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.20
Rot. Bonds6

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

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(1-pyridin-3-ylethyl)propanamide (PubChem CID 18163149) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(1-pyridin-3-ylethyl)propanamide.

Molecular Properties

Compound Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(1-pyridin-3-ylethyl)propanamide
PubChem CID18163149
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(1-pyridin-3-ylethyl)propanamide
SMILESCC(NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1cccnc1
InChIInChI=1S/C19H18ClN3O2/c1-13(14-5-4-10-21-11-14)23-18(24)8-9-19-22-12-17(25-19)15-6-2-3-7-16(15)20/h2-7,10-13H,8-9H2,1H3,(H,23,24)
InChIKeyMASFSSKWSMVFDV-UHFFFAOYSA-N
XLogP4.20
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.20
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-(1-pyridin-3-ylethyl)propanamide?
The IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(1-pyridin-3-ylethyl)propanamide (CID 18163149) is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(1-pyridin-3-ylethyl)propanamide.
What is the SMILES notation for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(1-pyridin-3-ylethyl)propanamide?
The canonical SMILES for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(1-pyridin-3-ylethyl)propanamide is CC(NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1cccnc1.
What is the InChIKey of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(1-pyridin-3-ylethyl)propanamide?
The InChIKey is MASFSSKWSMVFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-13(14-5-4-10-21-11-14)23-18(24)8-9-19-22-12-17(25-19)15-6-2-3-7-16(15)20/h2-7,10-13H,8-9H2,1H3,(H,23,24).
What are the key properties of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(1-pyridin-3-ylethyl)propanamide?
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(1-pyridin-3-ylethyl)propanamide has a molecular weight of 355.83 g/mol, XLogP of 4.20, 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-(1-pyridin-3-ylethyl)propanamide is sourced from PubChem (CID 18163149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).