6-(3-chlorophenyl)-N-[2-(1,3-oxazol-2-yl)propan-2-yl]pyridine-2-carboxamide

C18H16ClN3O2 — CID 71105537

IUPAC6-(3-chlorophenyl)-N-[2-(1,3-oxazol-2-yl)propan-2-yl]pyridine-2-carboxamide
SMILESCC(C)(NC(=O)c1cccc(-c2cccc(Cl)c2)n1)c1ncco1
InChIInChI=1S/C18H16ClN3O2/c1-18(2,17-20-9-10-24-17)22-16(23)15-8-4-7-14(21-15)12-5-3-6-13(19)11-12/h3-11H,1-2H3,(H,22,23)
InChIKeyMQYFOZSWVASOAR-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.06
Rot. Bonds4

About 6-(3-chlorophenyl)-N-[2-(1,3-oxazol-2-yl)propan-2-yl]pyridine-2-carboxamide

6-(3-chlorophenyl)-N-[2-(1,3-oxazol-2-yl)propan-2-yl]pyridine-2-carboxamide (PubChem CID 71105537) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-N-[2-(1,3-oxazol-2-yl)propan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3-chlorophenyl)-N-[2-(1,3-oxazol-2-yl)propan-2-yl]pyridine-2-carboxamide
PubChem CID71105537
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name6-(3-chlorophenyl)-N-[2-(1,3-oxazol-2-yl)propan-2-yl]pyridine-2-carboxamide
SMILESCC(C)(NC(=O)c1cccc(-c2cccc(Cl)c2)n1)c1ncco1
InChIInChI=1S/C18H16ClN3O2/c1-18(2,17-20-9-10-24-17)22-16(23)15-8-4-7-14(21-15)12-5-3-6-13(19)11-12/h3-11H,1-2H3,(H,22,23)
InChIKeyMQYFOZSWVASOAR-UHFFFAOYSA-N
XLogP4.06
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-N-[2-(1,3-oxazol-2-yl)propan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(3-chlorophenyl)-N-[2-(1,3-oxazol-2-yl)propan-2-yl]pyridine-2-carboxamide (CID 71105537) is 6-(3-chlorophenyl)-N-[2-(1,3-oxazol-2-yl)propan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(3-chlorophenyl)-N-[2-(1,3-oxazol-2-yl)propan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(3-chlorophenyl)-N-[2-(1,3-oxazol-2-yl)propan-2-yl]pyridine-2-carboxamide is CC(C)(NC(=O)c1cccc(-c2cccc(Cl)c2)n1)c1ncco1.
What is the InChIKey of 6-(3-chlorophenyl)-N-[2-(1,3-oxazol-2-yl)propan-2-yl]pyridine-2-carboxamide?
The InChIKey is MQYFOZSWVASOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-18(2,17-20-9-10-24-17)22-16(23)15-8-4-7-14(21-15)12-5-3-6-13(19)11-12/h3-11H,1-2H3,(H,22,23).
What are the key properties of 6-(3-chlorophenyl)-N-[2-(1,3-oxazol-2-yl)propan-2-yl]pyridine-2-carboxamide?
6-(3-chlorophenyl)-N-[2-(1,3-oxazol-2-yl)propan-2-yl]pyridine-2-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-N-[2-(1,3-oxazol-2-yl)propan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71105537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).