2-ethylidene-3-methyl-5,6-dihydro-1,3-benzoxazole

C10H13NO — CID 143723737

IUPAC2-ethylidene-3-methyl-5,6-dihydro-1,3-benzoxazole
SMILESCC=C1OC2=CCCC=C2N1C
InChIInChI=1S/C10H13NO/c1-3-10-11(2)8-6-4-5-7-9(8)12-10/h3,6-7H,4-5H2,1-2H3
InChIKeyQNTJENAKPFLORL-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.37
Rot. Bonds

About 2-ethylidene-3-methyl-5,6-dihydro-1,3-benzoxazole

2-ethylidene-3-methyl-5,6-dihydro-1,3-benzoxazole (PubChem CID 143723737) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-ethylidene-3-methyl-5,6-dihydro-1,3-benzoxazole.

Molecular Properties

Compound Name2-ethylidene-3-methyl-5,6-dihydro-1,3-benzoxazole
PubChem CID143723737
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-ethylidene-3-methyl-5,6-dihydro-1,3-benzoxazole
SMILESCC=C1OC2=CCCC=C2N1C
InChIInChI=1S/C10H13NO/c1-3-10-11(2)8-6-4-5-7-9(8)12-10/h3,6-7H,4-5H2,1-2H3
InChIKeyQNTJENAKPFLORL-UHFFFAOYSA-N
XLogP2.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethylidene-3-methyl-5,6-dihydro-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5E)-5-ethylidene-3-methyl-2,4-dimethylidene-1,3-oxazolidine
CID 20678275
(5Z)-5-ethylidene-3-methyl-2,4-dimethylidene-1,3-oxazolidine
CID 59965323
1-(6-Methoxycyclohexa-1,5-dien-1-yl)-2-methylidenepyrrolidine
CID 130420880
Ethane;2,3,5,6-tetrahydro-1,3-benzoxazole
CID 145267149
2,3,5,6-Tetrahydro-1,3-benzoxazole
CID 145267150
ethane;6-methoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine
CID 145384647
3-Methyl-5,6-dihydro-1,3-benzoxazol-2-one
CID 163865685
Ethane;3-methyl-5,6-dihydro-1,3-benzoxazol-2-one
CID 165131331
6-methoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine
CID 145384648

Frequently Asked Questions

What is the IUPAC name of 2-ethylidene-3-methyl-5,6-dihydro-1,3-benzoxazole?
The IUPAC name of 2-ethylidene-3-methyl-5,6-dihydro-1,3-benzoxazole (CID 143723737) is 2-ethylidene-3-methyl-5,6-dihydro-1,3-benzoxazole.
What is the SMILES notation for 2-ethylidene-3-methyl-5,6-dihydro-1,3-benzoxazole?
The canonical SMILES for 2-ethylidene-3-methyl-5,6-dihydro-1,3-benzoxazole is CC=C1OC2=CCCC=C2N1C.
What is the InChIKey of 2-ethylidene-3-methyl-5,6-dihydro-1,3-benzoxazole?
The InChIKey is QNTJENAKPFLORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-10-11(2)8-6-4-5-7-9(8)12-10/h3,6-7H,4-5H2,1-2H3.
What are the key properties of 2-ethylidene-3-methyl-5,6-dihydro-1,3-benzoxazole?
2-ethylidene-3-methyl-5,6-dihydro-1,3-benzoxazole has a molecular weight of 163.22 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-3-methyl-5,6-dihydro-1,3-benzoxazole is sourced from PubChem (CID 143723737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).