5-methyl-3-prop-1-enyl-1,2-benzoxazole

C11H11NO — CID 74961331

IUPAC5-methyl-3-prop-1-enyl-1,2-benzoxazole
SMILESCC=Cc1noc2ccc(C)cc12
InChIInChI=1S/C11H11NO/c1-3-4-10-9-7-8(2)5-6-11(9)13-12-10/h3-7H,1-2H3
InChIKeyGQLWQBGABAIAFG-UHFFFAOYSA-N
MW173.21 g/mol
LogP3.17
Rot. Bonds1

About 5-methyl-3-prop-1-enyl-1,2-benzoxazole

5-methyl-3-prop-1-enyl-1,2-benzoxazole (PubChem CID 74961331) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 5-methyl-3-prop-1-enyl-1,2-benzoxazole.

Molecular Properties

Compound Name5-methyl-3-prop-1-enyl-1,2-benzoxazole
PubChem CID74961331
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name5-methyl-3-prop-1-enyl-1,2-benzoxazole
SMILESCC=Cc1noc2ccc(C)cc12
InChIInChI=1S/C11H11NO/c1-3-4-10-9-7-8(2)5-6-11(9)13-12-10/h3-7H,1-2H3
InChIKeyGQLWQBGABAIAFG-UHFFFAOYSA-N
XLogP3.17
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-1,2-benzoxazole
CID 4283186
3-iodo-5-methyl-1,2-benzoxazole
CID 130284557
(5-methyl-1,2-benzoxazol-3-yl)methanol
CID 119083461
2-[(5-methyl-1,2-benzoxazol-3-yl)sulfanyl]ethanamine
CID 15453992
ethyl 5-methyl-1,2-benzoxazole-3-carboxylate
CID 118564146
3,6-dimethyl-2-prop-1-enyl-1-benzofuran
CID 91153270
2-[methyl-(5-methyl-1,2-benzoxazol-3-yl)amino]acetic acid
CID 83837531
4-methyl-1,2-bis(prop-1-enyl)benzene
CID 123860463
N-ethyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108790457
3-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1,2-benzoxazole
CID 71524265
3-(4-methylphenyl)-1,2-benzoxazol-5-ol
CID 105482853
2-(5-methyl-2,1-benzoxazol-3-yl)benzaldehyde
CID 105498880

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-prop-1-enyl-1,2-benzoxazole?
The IUPAC name of 5-methyl-3-prop-1-enyl-1,2-benzoxazole (CID 74961331) is 5-methyl-3-prop-1-enyl-1,2-benzoxazole.
What is the SMILES notation for 5-methyl-3-prop-1-enyl-1,2-benzoxazole?
The canonical SMILES for 5-methyl-3-prop-1-enyl-1,2-benzoxazole is CC=Cc1noc2ccc(C)cc12.
What is the InChIKey of 5-methyl-3-prop-1-enyl-1,2-benzoxazole?
The InChIKey is GQLWQBGABAIAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-3-4-10-9-7-8(2)5-6-11(9)13-12-10/h3-7H,1-2H3.
What are the key properties of 5-methyl-3-prop-1-enyl-1,2-benzoxazole?
5-methyl-3-prop-1-enyl-1,2-benzoxazole has a molecular weight of 173.21 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-prop-1-enyl-1,2-benzoxazole is sourced from PubChem (CID 74961331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).