5-phenyl-N-(3-phenylprop-2-ynyl)-1,2-oxazole-3-carboxamide

C19H14N2O2 — CID 24669082

IUPAC5-phenyl-N-(3-phenylprop-2-ynyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC#Cc1ccccc1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C19H14N2O2/c22-19(20-13-7-10-15-8-3-1-4-9-15)17-14-18(23-21-17)16-11-5-2-6-12-16/h1-6,8-9,11-12,14H,13H2,(H,20,22)
InChIKeyXMQBTBHGIPCVSB-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.12
Rot. Bonds3

About 5-phenyl-N-(3-phenylprop-2-ynyl)-1,2-oxazole-3-carboxamide

5-phenyl-N-(3-phenylprop-2-ynyl)-1,2-oxazole-3-carboxamide (PubChem CID 24669082) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 5-phenyl-N-(3-phenylprop-2-ynyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-(3-phenylprop-2-ynyl)-1,2-oxazole-3-carboxamide
PubChem CID24669082
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name5-phenyl-N-(3-phenylprop-2-ynyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC#Cc1ccccc1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C19H14N2O2/c22-19(20-13-7-10-15-8-3-1-4-9-15)17-14-18(23-21-17)16-11-5-2-6-12-16/h1-6,8-9,11-12,14H,13H2,(H,20,22)
InChIKeyXMQBTBHGIPCVSB-UHFFFAOYSA-N
XLogP3.12
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 90551130
N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43418328
N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 44602317
N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51103232
N-[2-(methylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 120827875
N-(3-hydroxy-2-methylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 65031495
N-[3-(chloroamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118906505
N-(cyclobutylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 33379552
N-(furan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 973870
N-[(4-hydroxyoxan-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 71788624
N-[(4-hydroxythian-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 111486579
N-[(2,5-dimethylfuran-3-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 90536099

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(3-phenylprop-2-ynyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-phenyl-N-(3-phenylprop-2-ynyl)-1,2-oxazole-3-carboxamide (CID 24669082) is 5-phenyl-N-(3-phenylprop-2-ynyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-phenyl-N-(3-phenylprop-2-ynyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-phenyl-N-(3-phenylprop-2-ynyl)-1,2-oxazole-3-carboxamide is O=C(NCC#Cc1ccccc1)c1cc(-c2ccccc2)on1.
What is the InChIKey of 5-phenyl-N-(3-phenylprop-2-ynyl)-1,2-oxazole-3-carboxamide?
The InChIKey is XMQBTBHGIPCVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c22-19(20-13-7-10-15-8-3-1-4-9-15)17-14-18(23-21-17)16-11-5-2-6-12-16/h1-6,8-9,11-12,14H,13H2,(H,20,22).
What are the key properties of 5-phenyl-N-(3-phenylprop-2-ynyl)-1,2-oxazole-3-carboxamide?
5-phenyl-N-(3-phenylprop-2-ynyl)-1,2-oxazole-3-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(3-phenylprop-2-ynyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24669082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).