2-phenyl-4-propyl-1,3-oxazole

C12H13NO — CID 23537835

IUPAC2-phenyl-4-propyl-1,3-oxazole
SMILESCCCc1coc(-c2ccccc2)n1
InChIInChI=1S/C12H13NO/c1-2-6-11-9-14-12(13-11)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3
InChIKeyIMBHWBZXAQSMQD-UHFFFAOYSA-N
MW187.24 g/mol
LogP3.29
Rot. Bonds3

About 2-phenyl-4-propyl-1,3-oxazole

2-phenyl-4-propyl-1,3-oxazole (PubChem CID 23537835) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-phenyl-4-propyl-1,3-oxazole.

Molecular Properties

Compound Name2-phenyl-4-propyl-1,3-oxazole
PubChem CID23537835
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-phenyl-4-propyl-1,3-oxazole
SMILESCCCc1coc(-c2ccccc2)n1
InChIInChI=1S/C12H13NO/c1-2-6-11-9-14-12(13-11)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3
InChIKeyIMBHWBZXAQSMQD-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

4-(iodomethyl)-2-phenyl-1,3-oxazole
CID 15726804
4-(bromomethyl)-2-phenyl-1,3-oxazole
CID 53421463
2-phenyl-4-[(4-propoxyphenoxy)methyl]-1,3-oxazole
CID 112787746
4-[(2-ethoxyphenoxy)methyl]-2-phenyl-1,3-oxazole
CID 78767319
4-hept-6-ynyl-2-phenyl-1,3-oxazole
CID 142811788
1-ethyl-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111552463
ethyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 15567335
3-methyl-1-(2-phenyl-1,3-oxazol-4-yl)butan-2-one
CID 164836493
N,N-dibutyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 54770947
ethyl 3,3-dimethyl-5-(2-phenyl-1,3-oxazol-4-yl)pentanoate
CID 160527947
2-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]pentan-1-ol
CID 111432763
4-[(3,4-dimethylphenoxy)methyl]-2-phenyl-1,3-oxazole
CID 112787327

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-propyl-1,3-oxazole?
The IUPAC name of 2-phenyl-4-propyl-1,3-oxazole (CID 23537835) is 2-phenyl-4-propyl-1,3-oxazole.
What is the SMILES notation for 2-phenyl-4-propyl-1,3-oxazole?
The canonical SMILES for 2-phenyl-4-propyl-1,3-oxazole is CCCc1coc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-4-propyl-1,3-oxazole?
The InChIKey is IMBHWBZXAQSMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-2-6-11-9-14-12(13-11)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3.
What are the key properties of 2-phenyl-4-propyl-1,3-oxazole?
2-phenyl-4-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 2-phenyl-4-propyl-1,3-oxazole is sourced from PubChem (CID 23537835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).