3-methyl-4,5-dihydro-1,3-benzoxazol-2-one

C8H9NO2 — CID 142262002

IUPAC3-methyl-4,5-dihydro-1,3-benzoxazol-2-one
SMILESCn1c2c(oc1=O)C=CCC2
InChIInChI=1S/C8H9NO2/c1-9-6-4-2-3-5-7(6)11-8(9)10/h3,5H,2,4H2,1H3
InChIKeyWIFBYZQASONOTF-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.94
Rot. Bonds

About 3-methyl-4,5-dihydro-1,3-benzoxazol-2-one

3-methyl-4,5-dihydro-1,3-benzoxazol-2-one (PubChem CID 142262002) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 3-methyl-4,5-dihydro-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-methyl-4,5-dihydro-1,3-benzoxazol-2-one
PubChem CID142262002
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name3-methyl-4,5-dihydro-1,3-benzoxazol-2-one
SMILESCn1c2c(oc1=O)C=CCC2
InChIInChI=1S/C8H9NO2/c1-9-6-4-2-3-5-7(6)11-8(9)10/h3,5H,2,4H2,1H3
InChIKeyWIFBYZQASONOTF-UHFFFAOYSA-N
XLogP0.94
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 5-methoxy-3,7-dihydro-2H-indol-7-ide-1-carboxylate;copper(1+)
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3-Propan-2-yl-4,5-dihydro-1,3-benzoxazol-2-one
CID 60067172
3-(2-Oxo-4,5-dihydro-1,3-benzoxazol-3-yl)propanal
CID 89270870
3-methyl-6H-cyclohepta[d][1,3]oxazol-2-one
CID 123382803
ethyl 6,7-dihydro-2H-1,5-benzoxazepine-5-carboxylate
CID 141202819
3-ethyl-5-[(1Z,3Z)-3-ethylpenta-1,3-dienyl]-4-methyl-1,3-oxazol-2-one
CID 143588735
ethane;3-methyl-6H-cyclohepta[d][1,3]oxazol-2-one
CID 143798284

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,5-dihydro-1,3-benzoxazol-2-one?
The IUPAC name of 3-methyl-4,5-dihydro-1,3-benzoxazol-2-one (CID 142262002) is 3-methyl-4,5-dihydro-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-methyl-4,5-dihydro-1,3-benzoxazol-2-one?
The canonical SMILES for 3-methyl-4,5-dihydro-1,3-benzoxazol-2-one is Cn1c2c(oc1=O)C=CCC2.
What is the InChIKey of 3-methyl-4,5-dihydro-1,3-benzoxazol-2-one?
The InChIKey is WIFBYZQASONOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-9-6-4-2-3-5-7(6)11-8(9)10/h3,5H,2,4H2,1H3.
What are the key properties of 3-methyl-4,5-dihydro-1,3-benzoxazol-2-one?
3-methyl-4,5-dihydro-1,3-benzoxazol-2-one has a molecular weight of 151.16 g/mol, XLogP of 0.94, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,5-dihydro-1,3-benzoxazol-2-one is sourced from PubChem (CID 142262002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).