N-(2-chloro-3-pyridinyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide

C16H12ClN3O3 — CID 3604840

IUPACN-(2-chloro-3-pyridinyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cccnc3Cl)no2)c1
InChIInChI=1S/C16H12ClN3O3/c1-22-11-5-2-4-10(8-11)14-9-13(20-23-14)16(21)19-12-6-3-7-18-15(12)17/h2-9H,1H3,(H,19,21)
InChIKeyRCKVTRPSWCVVJM-UHFFFAOYSA-N
MW329.74 g/mol
LogP3.65
Rot. Bonds4

About N-(2-chloro-3-pyridinyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide

N-(2-chloro-3-pyridinyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 3604840) has the molecular formula C16H12ClN3O3 and a molecular weight of 329.74 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID3604840
Molecular FormulaC16H12ClN3O3
Molecular Weight329.74 g/mol
Exact Mass329.06
IUPAC NameN-(2-chloro-3-pyridinyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cccnc3Cl)no2)c1
InChIInChI=1S/C16H12ClN3O3/c1-22-11-5-2-4-10(8-11)14-9-13(20-23-14)16(21)19-12-6-3-7-18-15(12)17/h2-9H,1H3,(H,19,21)
InChIKeyRCKVTRPSWCVVJM-UHFFFAOYSA-N
XLogP3.65
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 3604840) is N-(2-chloro-3-pyridinyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1cccc(-c2cc(C(=O)Nc3cccnc3Cl)no2)c1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is RCKVTRPSWCVVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3/c1-22-11-5-2-4-10(8-11)14-9-13(20-23-14)16(21)19-12-6-3-7-18-15(12)17/h2-9H,1H3,(H,19,21).
What are the key properties of N-(2-chloro-3-pyridinyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-(2-chloro-3-pyridinyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 329.74 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3604840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).