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

C8H9NO — CID 123308779

IUPAC2-methyl-4,5-dihydro-1,3-benzoxazole
SMILESCc1nc2c(o1)C=CCC2
InChIInChI=1S/C8H9NO/c1-6-9-7-4-2-3-5-8(7)10-6/h3,5H,2,4H2,1H3
InChIKeyMKFIMDGLJOUPDZ-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.94
Rot. Bonds

About 2-methyl-4,5-dihydro-1,3-benzoxazole

2-methyl-4,5-dihydro-1,3-benzoxazole (PubChem CID 123308779) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 2-methyl-4,5-dihydro-1,3-benzoxazole.

Molecular Properties

Compound Name2-methyl-4,5-dihydro-1,3-benzoxazole
PubChem CID123308779
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name2-methyl-4,5-dihydro-1,3-benzoxazole
SMILESCc1nc2c(o1)C=CCC2
InChIInChI=1S/C8H9NO/c1-6-9-7-4-2-3-5-8(7)10-6/h3,5H,2,4H2,1H3
InChIKeyMKFIMDGLJOUPDZ-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dihydro-1,3-benzoxazol-2-amine
CID 131993927
2-(2-tert-butylphenyl)-4,5-dihydro-1,3-benzoxazole
CID 174254475
2-propyl-5,6-dihydro-4H-cyclohepta[d][1,3]oxazole
CID 126659130
2-methyl-5,6-dihydro-3,1-benzoxazin-4-one
CID 118582039
2,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole
CID 12575563
6-methyl-3,4-dihydrophenanthridine
CID 142408589
2-methyl-4-propan-2-yl-7,8-dihydroquinazoline
CID 169235788
2-methyl-4-propyl-7,8-dihydroquinazoline
CID 177061424
2-methyl-4-phenyl-7,8-dihydroquinazoline
CID 135178820
2-methyl-5-(2-propan-2-ylcyclohexa-1,5-dien-1-yl)-1,3,4-oxadiazole
CID 177167720
2-propan-2-yl-7,8-dihydroquinoline
CID 89161554
[4-[3-(1,3-benzoxazol-2-yl)benzoyl]piperazin-1-yl]-[3-(4,5-dihydro-1,3-benzoxazol-2-yl)phenyl]methanone
CID 148848615

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-dihydro-1,3-benzoxazole?
The IUPAC name of 2-methyl-4,5-dihydro-1,3-benzoxazole (CID 123308779) is 2-methyl-4,5-dihydro-1,3-benzoxazole.
What is the SMILES notation for 2-methyl-4,5-dihydro-1,3-benzoxazole?
The canonical SMILES for 2-methyl-4,5-dihydro-1,3-benzoxazole is Cc1nc2c(o1)C=CCC2.
What is the InChIKey of 2-methyl-4,5-dihydro-1,3-benzoxazole?
The InChIKey is MKFIMDGLJOUPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-6-9-7-4-2-3-5-8(7)10-6/h3,5H,2,4H2,1H3.
What are the key properties of 2-methyl-4,5-dihydro-1,3-benzoxazole?
2-methyl-4,5-dihydro-1,3-benzoxazole has a molecular weight of 135.17 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-dihydro-1,3-benzoxazole is sourced from PubChem (CID 123308779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).