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

C16H13ClN2O2 — CID 3039776

IUPAC2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanamide
SMILESCC(C(N)=O)c1ccc2oc(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C16H13ClN2O2/c1-9(15(18)20)11-4-7-14-13(8-11)19-16(21-14)10-2-5-12(17)6-3-10/h2-9H,1H3,(H2,18,20)
InChIKeySKYNXWZWUYJKGC-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.74
Rot. Bonds3

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

2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanamide (PubChem CID 3039776) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanamide
PubChem CID3039776
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanamide
SMILESCC(C(N)=O)c1ccc2oc(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C16H13ClN2O2/c1-9(15(18)20)11-4-7-14-13(8-11)19-16(21-14)10-2-5-12(17)6-3-10/h2-9H,1H3,(H2,18,20)
InChIKeySKYNXWZWUYJKGC-UHFFFAOYSA-N
XLogP3.74
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanamide (CID 3039776) is 2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanamide is CC(C(N)=O)c1ccc2oc(-c3ccc(Cl)cc3)nc2c1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanamide?
The InChIKey is SKYNXWZWUYJKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-9(15(18)20)11-4-7-14-13(8-11)19-16(21-14)10-2-5-12(17)6-3-10/h2-9H,1H3,(H2,18,20).
What are the key properties of 2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanamide?
2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanamide has a molecular weight of 300.75 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanamide is sourced from PubChem (CID 3039776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).