3-(chloromethyl)-4-methyl-4H-indeno[2,1-d][1,2]oxazole

C12H10ClNO — CID 130570397

IUPAC3-(chloromethyl)-4-methyl-4H-indeno[2,1-d][1,2]oxazole
SMILESCC1c2ccccc2-c2onc(CCl)c21
InChIInChI=1S/C12H10ClNO/c1-7-8-4-2-3-5-9(8)12-11(7)10(6-13)14-15-12/h2-5,7H,6H2,1H3
InChIKeyZHSNFARZEXAEJF-UHFFFAOYSA-N
MW219.67 g/mol
LogP3.55
Rot. Bonds1

About 3-(chloromethyl)-4-methyl-4H-indeno[2,1-d][1,2]oxazole

3-(chloromethyl)-4-methyl-4H-indeno[2,1-d][1,2]oxazole (PubChem CID 130570397) has the molecular formula C12H10ClNO and a molecular weight of 219.67 g/mol. Its IUPAC name is 3-(chloromethyl)-4-methyl-4H-indeno[2,1-d][1,2]oxazole.

Molecular Properties

Compound Name3-(chloromethyl)-4-methyl-4H-indeno[2,1-d][1,2]oxazole
PubChem CID130570397
Molecular FormulaC12H10ClNO
Molecular Weight219.67 g/mol
Exact Mass219.05
IUPAC Name3-(chloromethyl)-4-methyl-4H-indeno[2,1-d][1,2]oxazole
SMILESCC1c2ccccc2-c2onc(CCl)c21
InChIInChI=1S/C12H10ClNO/c1-7-8-4-2-3-5-9(8)12-11(7)10(6-13)14-15-12/h2-5,7H,6H2,1H3
InChIKeyZHSNFARZEXAEJF-UHFFFAOYSA-N
XLogP3.55
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-(chloromethyl)-4-methyl-4H-indeno[2,1-d][1,2]oxazole 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

3-(chloromethyl)-5-methyl-4,5-dihydrobenzo[g][1,2]benzoxazole
CID 115420984
(5-methyl-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)methanamine
CID 115420975
(9S,18S,27S)-9,18,27-trimethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 101264087
N-[(5-methyl-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)methyl]propan-1-amine
CID 115420977
9-methyl-9H-fluorene;prop-1-ene
CID 145012304
chloro-(1,3-dimethyl-1H-inden-2-yl)-dimethylsilane
CID 142448765
1,9-dimethyl-9H-fluorene
CID 28227
9-methyl-9H-fluorene-1,2,3,4-tetrol
CID 163845357
(3S,4R)-1-(chloromethyl)-3,4-dimethyl-3,4-dihydroisoquinoline;hydrochloride
CID 67869522
(9-methyl-9H-fluoren-1-yl)-di(propan-2-yl)phosphane
CID 154022200
9-deuterio-9-methylfluorene
CID 169301704
5,7,12-trimethyl-7,12-dihydroindeno[1,2-a]fluorene
CID 122228971

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-4-methyl-4H-indeno[2,1-d][1,2]oxazole?
The IUPAC name of 3-(chloromethyl)-4-methyl-4H-indeno[2,1-d][1,2]oxazole (CID 130570397) is 3-(chloromethyl)-4-methyl-4H-indeno[2,1-d][1,2]oxazole.
What is the SMILES notation for 3-(chloromethyl)-4-methyl-4H-indeno[2,1-d][1,2]oxazole?
The canonical SMILES for 3-(chloromethyl)-4-methyl-4H-indeno[2,1-d][1,2]oxazole is CC1c2ccccc2-c2onc(CCl)c21.
What is the InChIKey of 3-(chloromethyl)-4-methyl-4H-indeno[2,1-d][1,2]oxazole?
The InChIKey is ZHSNFARZEXAEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO/c1-7-8-4-2-3-5-9(8)12-11(7)10(6-13)14-15-12/h2-5,7H,6H2,1H3.
What are the key properties of 3-(chloromethyl)-4-methyl-4H-indeno[2,1-d][1,2]oxazole?
3-(chloromethyl)-4-methyl-4H-indeno[2,1-d][1,2]oxazole has a molecular weight of 219.67 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-4-methyl-4H-indeno[2,1-d][1,2]oxazole is sourced from PubChem (CID 130570397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).