5-phenyl-2-propyl-1,3-oxazole

C12H13NO — CID 14665986

IUPAC5-phenyl-2-propyl-1,3-oxazole
SMILESCCCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C12H13NO/c1-2-6-12-13-9-11(14-12)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3
InChIKeyTXCWINMHPTZEOU-UHFFFAOYSA-N
MW187.24 g/mol
LogP3.29
Rot. Bonds3

About 5-phenyl-2-propyl-1,3-oxazole

5-phenyl-2-propyl-1,3-oxazole (PubChem CID 14665986) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 5-phenyl-2-propyl-1,3-oxazole.

Molecular Properties

Compound Name5-phenyl-2-propyl-1,3-oxazole
PubChem CID14665986
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name5-phenyl-2-propyl-1,3-oxazole
SMILESCCCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C12H13NO/c1-2-6-12-13-9-11(14-12)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3
InChIKeyTXCWINMHPTZEOU-UHFFFAOYSA-N
XLogP3.29
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Bis(5-phenyl-2-oxazolyl)benzene
CID 15732
2,5-Diphenyloxazole
CID 7105
5-(4-Bromophenyl)-1,3-oxazole
CID 2776418
2,5-Bis(4-biphenylyl)oxazole
CID 95231
5-Phenyl oxazole
CID 589311
2-(1-Naphthyl)-5-phenyloxazole
CID 70058
4-(2-Methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 91595667
2-(2-Chlorophenyl)-5-phenyl-1,3-oxazole
CID 259756
2-(Biphenyl-4-yl)-5-phenyloxazole
CID 96728
Pyridine, 4-(5-phenyl-2-oxazolyl)-
CID 156519
2-(4-Chlorophenyl)-5-phenyl-1,3-oxazole
CID 259758
5-(Naphthalen-2-yl)-1,3-oxazole
CID 11275595

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-propyl-1,3-oxazole?
The IUPAC name of 5-phenyl-2-propyl-1,3-oxazole (CID 14665986) is 5-phenyl-2-propyl-1,3-oxazole.
What is the SMILES notation for 5-phenyl-2-propyl-1,3-oxazole?
The canonical SMILES for 5-phenyl-2-propyl-1,3-oxazole is CCCc1ncc(-c2ccccc2)o1.
What is the InChIKey of 5-phenyl-2-propyl-1,3-oxazole?
The InChIKey is TXCWINMHPTZEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-2-6-12-13-9-11(14-12)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3.
What are the key properties of 5-phenyl-2-propyl-1,3-oxazole?
5-phenyl-2-propyl-1,3-oxazole has a molecular weight of 187.24 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-propyl-1,3-oxazole is sourced from PubChem (CID 14665986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).