2-cyclobutyl-5-(4-methylphenyl)-1,3-oxazole

C14H15NO — CID 142768688

IUPAC2-cyclobutyl-5-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2cnc(C3CCC3)o2)cc1
InChIInChI=1S/C14H15NO/c1-10-5-7-11(8-6-10)13-9-15-14(16-13)12-3-2-4-12/h5-9,12H,2-4H2,1H3
InChIKeyAFJNLVABDWDROS-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.92
Rot. Bonds2

About 2-cyclobutyl-5-(4-methylphenyl)-1,3-oxazole

2-cyclobutyl-5-(4-methylphenyl)-1,3-oxazole (PubChem CID 142768688) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-cyclobutyl-5-(4-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-cyclobutyl-5-(4-methylphenyl)-1,3-oxazole
PubChem CID142768688
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name2-cyclobutyl-5-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2cnc(C3CCC3)o2)cc1
InChIInChI=1S/C14H15NO/c1-10-5-7-11(8-6-10)13-9-15-14(16-13)12-3-2-4-12/h5-9,12H,2-4H2,1H3
InChIKeyAFJNLVABDWDROS-UHFFFAOYSA-N
XLogP3.92
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azetidin-3-yl)-5-(4-methylphenyl)-1,3-oxazole
CID 115028752
4-(2-cyclobutyl-1,3-oxazol-5-yl)benzenesulfonyl chloride
CID 56723881
2-cyclobutyl-5-(1-methylpyrazol-4-yl)-1,3-oxazole
CID 154788067
5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 122187167
5-(2-cyclopropyl-1,3-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 20959170
2-amino-N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-2-methylpropanamide
CID 119292951
2-cyclopropyl-5-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole
CID 20959137
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 162394822
N-(2-chlorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20959107
N-(4-bromophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide
CID 164610048
5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide
CID 53103014
5-(4-fluorophenyl)-2-pyrrolidin-2-yl-1,3-oxazole
CID 52983812

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-(4-methylphenyl)-1,3-oxazole?
The IUPAC name of 2-cyclobutyl-5-(4-methylphenyl)-1,3-oxazole (CID 142768688) is 2-cyclobutyl-5-(4-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 2-cyclobutyl-5-(4-methylphenyl)-1,3-oxazole?
The canonical SMILES for 2-cyclobutyl-5-(4-methylphenyl)-1,3-oxazole is Cc1ccc(-c2cnc(C3CCC3)o2)cc1.
What is the InChIKey of 2-cyclobutyl-5-(4-methylphenyl)-1,3-oxazole?
The InChIKey is AFJNLVABDWDROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-10-5-7-11(8-6-10)13-9-15-14(16-13)12-3-2-4-12/h5-9,12H,2-4H2,1H3.
What are the key properties of 2-cyclobutyl-5-(4-methylphenyl)-1,3-oxazole?
2-cyclobutyl-5-(4-methylphenyl)-1,3-oxazole has a molecular weight of 213.28 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-(4-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 142768688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).