4-(2,5-dihydro-1,2-oxazol-3-yl)benzonitrile

C10H8N2O — CID 57240771

IUPAC4-(2,5-dihydro-1,2-oxazol-3-yl)benzonitrile
SMILESN#Cc1ccc(C2=CCON2)cc1
InChIInChI=1S/C10H8N2O/c11-7-8-1-3-9(4-2-8)10-5-6-13-12-10/h1-5,12H,6H2
InChIKeyRDONSEXWBPABQT-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.43
Rot. Bonds1

About 4-(2,5-dihydro-1,2-oxazol-3-yl)benzonitrile

4-(2,5-dihydro-1,2-oxazol-3-yl)benzonitrile (PubChem CID 57240771) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 4-(2,5-dihydro-1,2-oxazol-3-yl)benzonitrile.

Molecular Properties

Compound Name4-(2,5-dihydro-1,2-oxazol-3-yl)benzonitrile
PubChem CID57240771
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name4-(2,5-dihydro-1,2-oxazol-3-yl)benzonitrile
SMILESN#Cc1ccc(C2=CCON2)cc1
InChIInChI=1S/C10H8N2O/c11-7-8-1-3-9(4-2-8)10-5-6-13-12-10/h1-5,12H,6H2
InChIKeyRDONSEXWBPABQT-UHFFFAOYSA-N
XLogP1.43
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Phenyloxazine
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4-[5-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-2,5-dihydro-1,2-oxazol-3-yl]benzonitrile
CID 91143620
4-[(1Z)-1-aminobuta-1,3-dienyl]benzonitrile
CID 134933229
3-Phenyl-2,5-dihydro-1,2-oxazole
CID 14642163
3-[4-(2H-oxazin-3-yl)phenyl]-2H-oxazine
CID 54269846
N-methoxy-1-(4-methylphenyl)ethenamine
CID 56975753
4-[5-(Hydroxymethyl)-2,5-dihydro-1,2-oxazol-3-yl]benzonitrile
CID 56984065
3-[5-(Azidomethyl)-2,5-dihydro-1,2-oxazol-3-yl]benzonitrile
CID 57012708
2-(3-Phenyl-2,5-dihydro-1,2-oxazol-5-yl)acetonitrile
CID 57036077
3-Benzyl-2,5-dihydro-1,2-oxazole
CID 57044806
1-phenyl-N-prop-2-enoxyethenamine
CID 57096615

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dihydro-1,2-oxazol-3-yl)benzonitrile?
The IUPAC name of 4-(2,5-dihydro-1,2-oxazol-3-yl)benzonitrile (CID 57240771) is 4-(2,5-dihydro-1,2-oxazol-3-yl)benzonitrile.
What is the SMILES notation for 4-(2,5-dihydro-1,2-oxazol-3-yl)benzonitrile?
The canonical SMILES for 4-(2,5-dihydro-1,2-oxazol-3-yl)benzonitrile is N#Cc1ccc(C2=CCON2)cc1.
What is the InChIKey of 4-(2,5-dihydro-1,2-oxazol-3-yl)benzonitrile?
The InChIKey is RDONSEXWBPABQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c11-7-8-1-3-9(4-2-8)10-5-6-13-12-10/h1-5,12H,6H2.
What are the key properties of 4-(2,5-dihydro-1,2-oxazol-3-yl)benzonitrile?
4-(2,5-dihydro-1,2-oxazol-3-yl)benzonitrile has a molecular weight of 172.19 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dihydro-1,2-oxazol-3-yl)benzonitrile is sourced from PubChem (CID 57240771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).