6-methyl-2-phenyl-5-propan-2-yl-1,3-benzoxazole

C17H17NO — CID 140904312

IUPAC6-methyl-2-phenyl-5-propan-2-yl-1,3-benzoxazole
SMILESCc1cc2oc(-c3ccccc3)nc2cc1C(C)C
InChIInChI=1S/C17H17NO/c1-11(2)14-10-15-16(9-12(14)3)19-17(18-15)13-7-5-4-6-8-13/h4-11H,1-3H3
InChIKeyRSURZSLZPMZAFA-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.93
Rot. Bonds2

About 6-methyl-2-phenyl-5-propan-2-yl-1,3-benzoxazole

6-methyl-2-phenyl-5-propan-2-yl-1,3-benzoxazole (PubChem CID 140904312) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-methyl-2-phenyl-5-propan-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name6-methyl-2-phenyl-5-propan-2-yl-1,3-benzoxazole
PubChem CID140904312
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name6-methyl-2-phenyl-5-propan-2-yl-1,3-benzoxazole
SMILESCc1cc2oc(-c3ccccc3)nc2cc1C(C)C
InChIInChI=1S/C17H17NO/c1-11(2)14-10-15-16(9-12(14)3)19-17(18-15)13-7-5-4-6-8-13/h4-11H,1-3H3
InChIKeyRSURZSLZPMZAFA-UHFFFAOYSA-N
XLogP4.93
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-phenyl-1,3-benzoxazol-6-amine
CID 155036238
4-(6-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-2-yl)phenol
CID 143547585
5-tert-butyl-2-[4-(5-tert-butyl-6-methyl-1,3-benzoxazol-2-yl)phenyl]-6-methyl-1,3-benzoxazole
CID 20612830
2-(5-amino-2-phenyl-1,3-benzoxazol-6-yl)propan-2-ol;methane
CID 163607211
2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-methyl-1,3-benzoxazole;methanamine;6-methyl-2-phenyl-1,3-benzoxazole;2-(4-methylphenyl)-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 162036197
5,5,8,8-tetramethyl-2-phenyl-6,7-dihydrobenzo[f][1,3]benzoxazole
CID 126655849
6-(2-methylbutoxy)-2-[4-[4-[4-[6-(2-methylbutoxy)-5-propan-2-yl-1,3-benzoxazol-2-yl]phenyl]phenyl]phenyl]-5-propan-2-yl-1,3-benzoxazole
CID 20612821
2-(4-ethylphenyl)-5,6-dimethyl-1,3-benzoxazole
CID 95910929
5-iodo-6-methoxy-2-phenyl-1,3-benzoxazole
CID 135041738
2-propan-2-yl-6-[4-[2,4,6-tri(propan-2-yl)-3,5-bis[4-(2-propan-2-yl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole
CID 130355829
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
CID 881883
3-methyl-1-(2-phenyl-1,3-benzoxazol-6-yl)butan-1-one
CID 67466384

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-phenyl-5-propan-2-yl-1,3-benzoxazole?
The IUPAC name of 6-methyl-2-phenyl-5-propan-2-yl-1,3-benzoxazole (CID 140904312) is 6-methyl-2-phenyl-5-propan-2-yl-1,3-benzoxazole.
What is the SMILES notation for 6-methyl-2-phenyl-5-propan-2-yl-1,3-benzoxazole?
The canonical SMILES for 6-methyl-2-phenyl-5-propan-2-yl-1,3-benzoxazole is Cc1cc2oc(-c3ccccc3)nc2cc1C(C)C.
What is the InChIKey of 6-methyl-2-phenyl-5-propan-2-yl-1,3-benzoxazole?
The InChIKey is RSURZSLZPMZAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-11(2)14-10-15-16(9-12(14)3)19-17(18-15)13-7-5-4-6-8-13/h4-11H,1-3H3.
What are the key properties of 6-methyl-2-phenyl-5-propan-2-yl-1,3-benzoxazole?
6-methyl-2-phenyl-5-propan-2-yl-1,3-benzoxazole has a molecular weight of 251.33 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-phenyl-5-propan-2-yl-1,3-benzoxazole is sourced from PubChem (CID 140904312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).