1,2-benzoxazole;6-methyl-1,3-benzoxazole

C15H12N2O2 — CID 143880138

IUPAC1,2-benzoxazole;6-methyl-1,3-benzoxazole
SMILESCc1ccc2ncoc2c1.c1ccc2oncc2c1
InChIInChI=1S/C8H7NO.C7H5NO/c1-6-2-3-7-8(4-6)10-5-9-7;1-2-4-7-6(3-1)5-8-9-7/h2-5H,1H3;1-5H
InChIKeyRHUPPRHXJKLKCI-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.96
Rot. Bonds

About 1,2-benzoxazole;6-methyl-1,3-benzoxazole

1,2-benzoxazole;6-methyl-1,3-benzoxazole (PubChem CID 143880138) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1,2-benzoxazole;6-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name1,2-benzoxazole;6-methyl-1,3-benzoxazole
PubChem CID143880138
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name1,2-benzoxazole;6-methyl-1,3-benzoxazole
SMILESCc1ccc2ncoc2c1.c1ccc2oncc2c1
InChIInChI=1S/C8H7NO.C7H5NO/c1-6-2-3-7-8(4-6)10-5-9-7;1-2-4-7-6(3-1)5-8-9-7/h2-5H,1H3;1-5H
InChIKeyRHUPPRHXJKLKCI-UHFFFAOYSA-N
XLogP3.96
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorobenzyl)-N-methyl-N-[(3-methyl-5-isoxazolyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 24794183
6-Methyl-2-pyridin-3-yl-1,3-benzoxazole
CID 829823
2-(4-methoxybenzyl)-N-[(3-methyl-5-isoxazolyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 24793803
6-Methylbenzoxazole
CID 2724969
3-[1-[3-[3-(1,3-Benzoxazol-2-yl)phenoxy]propyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 122196380
6-Methyl-2-(2-nitrophenyl)-1,3-benzoxazole
CID 482246
N-(3-(benzo[d]oxazol-2-yl)phenyl)isoxazole-5-carboxamide
CID 18587263
Oxazoloisoquinoline
CID 66932874
Oxazoloisoindole
CID 67259786
5-Fluoro-7-methoxy-1-(1,2-oxazol-5-ylmethyl)indole-2-carbaldehyde
CID 170338530
[5-(1,3-Benzoxazol-6-yl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 146230188
6-Nitroso-7-(2-phenylethyl)-1,3-benzoxazole
CID 12424731

Frequently Asked Questions

What is the IUPAC name of 1,2-benzoxazole;6-methyl-1,3-benzoxazole?
The IUPAC name of 1,2-benzoxazole;6-methyl-1,3-benzoxazole (CID 143880138) is 1,2-benzoxazole;6-methyl-1,3-benzoxazole.
What is the SMILES notation for 1,2-benzoxazole;6-methyl-1,3-benzoxazole?
The canonical SMILES for 1,2-benzoxazole;6-methyl-1,3-benzoxazole is Cc1ccc2ncoc2c1.c1ccc2oncc2c1.
What is the InChIKey of 1,2-benzoxazole;6-methyl-1,3-benzoxazole?
The InChIKey is RHUPPRHXJKLKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO.C7H5NO/c1-6-2-3-7-8(4-6)10-5-9-7;1-2-4-7-6(3-1)5-8-9-7/h2-5H,1H3;1-5H.
What are the key properties of 1,2-benzoxazole;6-methyl-1,3-benzoxazole?
1,2-benzoxazole;6-methyl-1,3-benzoxazole has a molecular weight of 252.27 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-benzoxazole;6-methyl-1,3-benzoxazole is sourced from PubChem (CID 143880138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).