7-methyl-4,5-dihydro-1,3-benzoxazole

C8H9NO — CID 134316240

IUPAC7-methyl-4,5-dihydro-1,3-benzoxazole
SMILESCC1=CCCc2ncoc21
InChIInChI=1S/C8H9NO/c1-6-3-2-4-7-8(6)10-5-9-7/h3,5H,2,4H2,1H3
InChIKeyPAAKYMJWHSPGPO-UHFFFAOYSA-N
MW135.17 g/mol
LogP2.02
Rot. Bonds

About 7-methyl-4,5-dihydro-1,3-benzoxazole

7-methyl-4,5-dihydro-1,3-benzoxazole (PubChem CID 134316240) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 7-methyl-4,5-dihydro-1,3-benzoxazole.

Molecular Properties

Compound Name7-methyl-4,5-dihydro-1,3-benzoxazole
PubChem CID134316240
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name7-methyl-4,5-dihydro-1,3-benzoxazole
SMILESCC1=CCCc2ncoc21
InChIInChI=1S/C8H9NO/c1-6-3-2-4-7-8(6)10-5-9-7/h3,5H,2,4H2,1H3
InChIKeyPAAKYMJWHSPGPO-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

Benzoxazol-4(5h)-one
CID 21249923
4-But-1-en-2-yl-5-(1-fluoroethenyl)-1,3-oxazole
CID 171807382
4,5-Dihydro-1,3-benzoxazole
CID 17861785
5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-propyl-1,3-oxazole
CID 18960928
5H-1,3-benzoxazole-4-thione
CID 22509383
2-(4H-1,3-benzoxazol-5-ylidene)acetic acid
CID 57164111
6-Propan-2-ylidene-4,5-dihydrocyclopenta[d][1,3]oxazole
CID 58085770
(R)-4-methyl-5-(4-(prop-1-en-2-yl)cyclohex-1-enyl)oxazole
CID 66696612
4-Methyl-5-(4-prop-1-en-2-ylcyclohexen-1-yl)-1,3-oxazole
CID 66696614
(2Z)-2-(4H-1,3-benzoxazol-5-ylidene)acetic acid
CID 67783527
4,4,5,5-Tetramethyl-1,3-benzoxazole
CID 69666691
5-Cyclohexa-1,3-dien-1-yl-4-methyl-1,3-oxazole
CID 90243606

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4,5-dihydro-1,3-benzoxazole?
The IUPAC name of 7-methyl-4,5-dihydro-1,3-benzoxazole (CID 134316240) is 7-methyl-4,5-dihydro-1,3-benzoxazole.
What is the SMILES notation for 7-methyl-4,5-dihydro-1,3-benzoxazole?
The canonical SMILES for 7-methyl-4,5-dihydro-1,3-benzoxazole is CC1=CCCc2ncoc21.
What is the InChIKey of 7-methyl-4,5-dihydro-1,3-benzoxazole?
The InChIKey is PAAKYMJWHSPGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-6-3-2-4-7-8(6)10-5-9-7/h3,5H,2,4H2,1H3.
What are the key properties of 7-methyl-4,5-dihydro-1,3-benzoxazole?
7-methyl-4,5-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 7-methyl-4,5-dihydro-1,3-benzoxazole is sourced from PubChem (CID 134316240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).