5-methylidene-2-phenyl-4H-1,3-oxazole

C10H9NO — CID 10057790

IUPAC5-methylidene-2-phenyl-4H-1,3-oxazole
SMILESC=C1CN=C(c2ccccc2)O1
InChIInChI=1S/C10H9NO/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h2-6H,1,7H2
InChIKeyJCQCMFBLFICHIB-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.98
Rot. Bonds1

About 5-methylidene-2-phenyl-4H-1,3-oxazole

5-methylidene-2-phenyl-4H-1,3-oxazole (PubChem CID 10057790) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 5-methylidene-2-phenyl-4H-1,3-oxazole.

Molecular Properties

Compound Name5-methylidene-2-phenyl-4H-1,3-oxazole
PubChem CID10057790
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name5-methylidene-2-phenyl-4H-1,3-oxazole
SMILESC=C1CN=C(c2ccccc2)O1
InChIInChI=1S/C10H9NO/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h2-6H,1,7H2
InChIKeyJCQCMFBLFICHIB-UHFFFAOYSA-N
XLogP1.98
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Dimethyl-2-phenyl-2-oxazoline
CID 289239
2-Phenyl-5,6-dihydro-4H-1,3-oxazine
CID 293673
2-Phenyl-2-oxazoline
CID 244030
4-Methyl-2-phenyl-2-oxazoline-5-one
CID 495826
Azlactone
CID 65073
2,2'-(1,4-Phenylene)bis(4,5-dihydrooxazole)
CID 81929
Oxazole, 2,2'-(1,3-phenylene)bis[4,5-dihydro-
CID 604269
4,4-Dimethyl-2-(2-(methylseleno)phenyl)-2-oxazoline
CID 3517846
4,5-Dihydro-2-[3-(trifluoromethyl)phenyl]-oxazole
CID 67984069
(4S)-2-(3-methylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole
CID 17756809
Oxazole, 2-(4-fluorophenyl)-4,5-dihydro-4,4-dimethyl-
CID 156132
Mls002667700
CID 244135

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-2-phenyl-4H-1,3-oxazole?
The IUPAC name of 5-methylidene-2-phenyl-4H-1,3-oxazole (CID 10057790) is 5-methylidene-2-phenyl-4H-1,3-oxazole.
What is the SMILES notation for 5-methylidene-2-phenyl-4H-1,3-oxazole?
The canonical SMILES for 5-methylidene-2-phenyl-4H-1,3-oxazole is C=C1CN=C(c2ccccc2)O1.
What is the InChIKey of 5-methylidene-2-phenyl-4H-1,3-oxazole?
The InChIKey is JCQCMFBLFICHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h2-6H,1,7H2.
What are the key properties of 5-methylidene-2-phenyl-4H-1,3-oxazole?
5-methylidene-2-phenyl-4H-1,3-oxazole has a molecular weight of 159.19 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-2-phenyl-4H-1,3-oxazole is sourced from PubChem (CID 10057790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).