5-(2-methoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide

C16H13N3O3 — CID 3236616

IUPAC5-(2-methoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)Nc2cccnc2)no1
InChIInChI=1S/C16H13N3O3/c1-21-14-7-3-2-6-12(14)15-9-13(19-22-15)16(20)18-11-5-4-8-17-10-11/h2-10H,1H3,(H,18,20)
InChIKeyLXCZZKZRBHTQQZ-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.00
Rot. Bonds4

About 5-(2-methoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide

5-(2-methoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 3236616) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide
PubChem CID3236616
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name5-(2-methoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)Nc2cccnc2)no1
InChIInChI=1S/C16H13N3O3/c1-21-14-7-3-2-6-12(14)15-9-13(19-22-15)16(20)18-11-5-4-8-17-10-11/h2-10H,1H3,(H,18,20)
InChIKeyLXCZZKZRBHTQQZ-UHFFFAOYSA-N
XLogP3.00
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-phenyl-N-(2-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973877
N-(2-chloropyridin-3-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3604840
5-(4-chlorophenyl)-N-pyridin-3-ylisoxazole-3-carboxamide
CID 15988868
5-(2-hydroxyphenyl)-N-pyridin-3-ylisoxazole-3-carboxamide
CID 135439782
N-(2-chloro(3-pyridyl))[5-(2-hydroxyphenyl)isoxazol-3-yl]carboxamide
CID 135693599
5-phenyl-N-(3-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973868
N-[3-(1H-imidazol-1-yl)propyl]-5-(2-methoxyphenyl)isoxazole-3-carboxamide
CID 3245017
6-[3-(4-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-N-isopropyl-nicotinamide
CID 42629329
N-Isopropyl-6-(5-methyl-3-pyridin-2-yl-isoxazol-4-ylmethoxy)-nicotinamide
CID 42630166
N-ethyl-6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide
CID 42630292
N-Isopropyl-6-(5-methyl-3-p-tolyl-isoxazol-4-ylmethoxy)-nicotinamide
CID 68443215
6-[[3-(5-fluoropiperidin-2-yl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridine-3-carboxamide
CID 90683546

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2-methoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide (CID 3236616) is 5-(2-methoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2-methoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2-methoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide is COc1ccccc1-c1cc(C(=O)Nc2cccnc2)no1.
What is the InChIKey of 5-(2-methoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The InChIKey is LXCZZKZRBHTQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-21-14-7-3-2-6-12(14)15-9-13(19-22-15)16(20)18-11-5-4-8-17-10-11/h2-10H,1H3,(H,18,20).
What are the key properties of 5-(2-methoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide?
5-(2-methoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3236616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).