2-chloro-N-[1-(1,3-oxazol-2-yl)-2-phenylethyl]propanamide

C14H15ClN2O2 — CID 146098695

IUPAC2-chloro-N-[1-(1,3-oxazol-2-yl)-2-phenylethyl]propanamide
SMILESCC(Cl)C(=O)NC(Cc1ccccc1)c1ncco1
InChIInChI=1S/C14H15ClN2O2/c1-10(15)13(18)17-12(14-16-7-8-19-14)9-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3,(H,17,18)
InChIKeyKVLJMHUFDBLCKR-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.70
Rot. Bonds5

About 2-chloro-N-[1-(1,3-oxazol-2-yl)-2-phenylethyl]propanamide

2-chloro-N-[1-(1,3-oxazol-2-yl)-2-phenylethyl]propanamide (PubChem CID 146098695) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-chloro-N-[1-(1,3-oxazol-2-yl)-2-phenylethyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[1-(1,3-oxazol-2-yl)-2-phenylethyl]propanamide
PubChem CID146098695
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name2-chloro-N-[1-(1,3-oxazol-2-yl)-2-phenylethyl]propanamide
SMILESCC(Cl)C(=O)NC(Cc1ccccc1)c1ncco1
InChIInChI=1S/C14H15ClN2O2/c1-10(15)13(18)17-12(14-16-7-8-19-14)9-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3,(H,17,18)
InChIKeyKVLJMHUFDBLCKR-UHFFFAOYSA-N
XLogP2.70
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(1,3-oxazol-2-yl)-2-phenylethyl]propanamide?
The IUPAC name of 2-chloro-N-[1-(1,3-oxazol-2-yl)-2-phenylethyl]propanamide (CID 146098695) is 2-chloro-N-[1-(1,3-oxazol-2-yl)-2-phenylethyl]propanamide.
What is the SMILES notation for 2-chloro-N-[1-(1,3-oxazol-2-yl)-2-phenylethyl]propanamide?
The canonical SMILES for 2-chloro-N-[1-(1,3-oxazol-2-yl)-2-phenylethyl]propanamide is CC(Cl)C(=O)NC(Cc1ccccc1)c1ncco1.
What is the InChIKey of 2-chloro-N-[1-(1,3-oxazol-2-yl)-2-phenylethyl]propanamide?
The InChIKey is KVLJMHUFDBLCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-10(15)13(18)17-12(14-16-7-8-19-14)9-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3,(H,17,18).
What are the key properties of 2-chloro-N-[1-(1,3-oxazol-2-yl)-2-phenylethyl]propanamide?
2-chloro-N-[1-(1,3-oxazol-2-yl)-2-phenylethyl]propanamide has a molecular weight of 278.74 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(1,3-oxazol-2-yl)-2-phenylethyl]propanamide is sourced from PubChem (CID 146098695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).