2-methyl-1,3-benzoxazole;prop-1-ene

C11H13NO — CID 178101004

IUPAC2-methyl-1,3-benzoxazole;prop-1-ene
SMILESC=CC.Cc1nc2ccccc2o1
InChIInChI=1S/C8H7NO.C3H6/c1-6-9-7-4-2-3-5-8(7)10-6;1-3-2/h2-5H,1H3;3H,1H2,2H3
InChIKeyWLCWQGLABNZJOK-UHFFFAOYSA-N
MW175.23 g/mol
LogP3.33
Rot. Bonds

About 2-methyl-1,3-benzoxazole;prop-1-ene

2-methyl-1,3-benzoxazole;prop-1-ene (PubChem CID 178101004) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-methyl-1,3-benzoxazole;prop-1-ene.

Molecular Properties

Compound Name2-methyl-1,3-benzoxazole;prop-1-ene
PubChem CID178101004
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-methyl-1,3-benzoxazole;prop-1-ene
SMILESC=CC.Cc1nc2ccccc2o1
InChIInChI=1S/C8H7NO.C3H6/c1-6-9-7-4-2-3-5-8(7)10-6;1-3-2/h2-5H,1H3;3H,1H2,2H3
InChIKeyWLCWQGLABNZJOK-UHFFFAOYSA-N
XLogP3.33
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1,3-benzoxazole;hydroiodide
CID 173239449
lithium;bis(carbon dioxide);2,5-dimethyl-1,3-benzoxazole;2-methyl-1,3-benzoxazole;hydroxide;hydrate
CID 159145019
CID 157241196
CID 157241196
1,3-benzoxazol-2-yl(trimethyl)silane
CID 12934592
2-methyl-1,3-benzoxazol-5-ol
CID 10888073
2-but-2-enyl-1,3-benzoxazole
CID 86020978
1,1-bis(1,3-benzoxazol-2-yl)prop-2-en-1-ol
CID 11231642
N,N-bis(prop-2-enyl)-1,3-benzoxazol-2-amine
CID 44603809
2-methyl-[1]benzofuro[2,3-f][1,3]benzoxazole
CID 20610547
N,N-diphenylaniline;ethane;2-methyl-1,3-benzoxazole;bis(2-methyl-3H-indole)
CID 163577880
2-ethyl-1,3-benzoxazole
CID 23239
2-(dibromomethyl)-1,3-benzoxazole
CID 91619168

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-benzoxazole;prop-1-ene?
The IUPAC name of 2-methyl-1,3-benzoxazole;prop-1-ene (CID 178101004) is 2-methyl-1,3-benzoxazole;prop-1-ene.
What is the SMILES notation for 2-methyl-1,3-benzoxazole;prop-1-ene?
The canonical SMILES for 2-methyl-1,3-benzoxazole;prop-1-ene is C=CC.Cc1nc2ccccc2o1.
What is the InChIKey of 2-methyl-1,3-benzoxazole;prop-1-ene?
The InChIKey is WLCWQGLABNZJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO.C3H6/c1-6-9-7-4-2-3-5-8(7)10-6;1-3-2/h2-5H,1H3;3H,1H2,2H3.
What are the key properties of 2-methyl-1,3-benzoxazole;prop-1-ene?
2-methyl-1,3-benzoxazole;prop-1-ene has a molecular weight of 175.23 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-benzoxazole;prop-1-ene is sourced from PubChem (CID 178101004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).