5-methyl-6,7-dihydro-1,3-benzoxazole

C8H9NO — CID 130369919

IUPAC5-methyl-6,7-dihydro-1,3-benzoxazole
SMILESCC1=Cc2ncoc2CC1
InChIInChI=1S/C8H9NO/c1-6-2-3-8-7(4-6)9-5-10-8/h4-5H,2-3H2,1H3
InChIKeyRDCBHZZPBXUHRQ-UHFFFAOYSA-N
MW135.17 g/mol
LogP2.02
Rot. Bonds

About 5-methyl-6,7-dihydro-1,3-benzoxazole

5-methyl-6,7-dihydro-1,3-benzoxazole (PubChem CID 130369919) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 5-methyl-6,7-dihydro-1,3-benzoxazole.

Molecular Properties

Compound Name5-methyl-6,7-dihydro-1,3-benzoxazole
PubChem CID130369919
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name5-methyl-6,7-dihydro-1,3-benzoxazole
SMILESCC1=Cc2ncoc2CC1
InChIInChI=1S/C8H9NO/c1-6-2-3-8-7(4-6)9-5-10-8/h4-5H,2-3H2,1H3
InChIKeyRDCBHZZPBXUHRQ-UHFFFAOYSA-N
XLogP2.02
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-Dipropyloxazole
CID 19964978
Ethane;2-methyl-5-(trifluoromethyl)-6,7-dihydro-1,3-benzoxazole
CID 142292477
2-Methyl-5-(trifluoromethyl)-6,7-dihydro-1,3-benzoxazole
CID 142292478
4-But-1-en-2-yl-5-(1-fluoroethenyl)-1,3-oxazole
CID 171807382
5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-propyl-1,3-oxazole
CID 18960928
7H-1,3-benzoxazol-6-one
CID 20067062
6,7-Dihydro-1,3-benzoxazole
CID 20558214
5-Butyl-4-methyloxazole
CID 53820237
5-Butyl-4-ethyl-1,3-oxazole
CID 54265883
4-propan-2-ylidene-6,7-dihydro-5H-1,3-benzoxazole
CID 58085715
4-methylidene-6,7-dihydro-5H-1,3-benzoxazole
CID 68061433
5-Ethyl-4-propyl-1,3-oxazole
CID 88974442

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6,7-dihydro-1,3-benzoxazole?
The IUPAC name of 5-methyl-6,7-dihydro-1,3-benzoxazole (CID 130369919) is 5-methyl-6,7-dihydro-1,3-benzoxazole.
What is the SMILES notation for 5-methyl-6,7-dihydro-1,3-benzoxazole?
The canonical SMILES for 5-methyl-6,7-dihydro-1,3-benzoxazole is CC1=Cc2ncoc2CC1.
What is the InChIKey of 5-methyl-6,7-dihydro-1,3-benzoxazole?
The InChIKey is RDCBHZZPBXUHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-6-2-3-8-7(4-6)9-5-10-8/h4-5H,2-3H2,1H3.
What are the key properties of 5-methyl-6,7-dihydro-1,3-benzoxazole?
5-methyl-6,7-dihydro-1,3-benzoxazole has a molecular weight of 135.17 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6,7-dihydro-1,3-benzoxazole is sourced from PubChem (CID 130369919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).