5-phenyl-N-pyridin-2-yl-4,5-dihydro-1,2-oxazole-3-carboxamide

C15H13N3O2 — CID 167954246

IUPAC5-phenyl-N-pyridin-2-yl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccccn1)C1=NOC(c2ccccc2)C1
InChIInChI=1S/C15H13N3O2/c19-15(17-14-8-4-5-9-16-14)12-10-13(20-18-12)11-6-2-1-3-7-11/h1-9,13H,10H2,(H,16,17,19)
InChIKeyVKLUPDCDZVPAAA-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.54
Rot. Bonds3

About 5-phenyl-N-pyridin-2-yl-4,5-dihydro-1,2-oxazole-3-carboxamide

5-phenyl-N-pyridin-2-yl-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 167954246) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-phenyl-N-pyridin-2-yl-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-pyridin-2-yl-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID167954246
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name5-phenyl-N-pyridin-2-yl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccccn1)C1=NOC(c2ccccc2)C1
InChIInChI=1S/C15H13N3O2/c19-15(17-14-8-4-5-9-16-14)12-10-13(20-18-12)11-6-2-1-3-7-11/h1-9,13H,10H2,(H,16,17,19)
InChIKeyVKLUPDCDZVPAAA-UHFFFAOYSA-N
XLogP2.54
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-N-(6-chloro-2-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 124508168
(5S)-5-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 95273803
(5S)-N',N',5-triphenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide
CID 95062084
(5R)-N-(2-ethoxy-3-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 94538959
5-phenyl-N-(2-propan-2-yl-4-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 167979333
5-(4-methylphenyl)-N-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 167930152
5-phenyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 56797332
(5S)-N-(2-benzamidoethyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 94538881
5-phenyl-N-(4-propan-2-yl-1,3-oxazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 167898515
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 60525056
(5R)-5-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 95171775
(5R)-N-[4-(1,3-oxazol-5-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 94638684

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-pyridin-2-yl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-phenyl-N-pyridin-2-yl-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 167954246) is 5-phenyl-N-pyridin-2-yl-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-phenyl-N-pyridin-2-yl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-phenyl-N-pyridin-2-yl-4,5-dihydro-1,2-oxazole-3-carboxamide is O=C(Nc1ccccn1)C1=NOC(c2ccccc2)C1.
What is the InChIKey of 5-phenyl-N-pyridin-2-yl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is VKLUPDCDZVPAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-15(17-14-8-4-5-9-16-14)12-10-13(20-18-12)11-6-2-1-3-7-11/h1-9,13H,10H2,(H,16,17,19).
What are the key properties of 5-phenyl-N-pyridin-2-yl-4,5-dihydro-1,2-oxazole-3-carboxamide?
5-phenyl-N-pyridin-2-yl-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-pyridin-2-yl-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 167954246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).