5-chloro-2-methyl-6,7-dihydro-1,3-benzoxazole

C8H8ClNO — CID 142292423

IUPAC5-chloro-2-methyl-6,7-dihydro-1,3-benzoxazole
SMILESCc1nc2c(o1)CCC(Cl)=C2
InChIInChI=1S/C8H8ClNO/c1-5-10-7-4-6(9)2-3-8(7)11-5/h4H,2-3H2,1H3
InChIKeyLEIQUXACESUSMJ-UHFFFAOYSA-N
MW169.61 g/mol
LogP2.51
Rot. Bonds

About 5-chloro-2-methyl-6,7-dihydro-1,3-benzoxazole

5-chloro-2-methyl-6,7-dihydro-1,3-benzoxazole (PubChem CID 142292423) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is 5-chloro-2-methyl-6,7-dihydro-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-2-methyl-6,7-dihydro-1,3-benzoxazole
PubChem CID142292423
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name5-chloro-2-methyl-6,7-dihydro-1,3-benzoxazole
SMILESCc1nc2c(o1)CCC(Cl)=C2
InChIInChI=1S/C8H8ClNO/c1-5-10-7-4-6(9)2-3-8(7)11-5/h4H,2-3H2,1H3
InChIKeyLEIQUXACESUSMJ-UHFFFAOYSA-N
XLogP2.51
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Fluoro-2-methyl-6,7-dihydro-1,3-benzoxazole
CID 142292439
2-Ethyl-5-fluoro-6,7-dihydro-1,3-benzoxazole
CID 142292476
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
2-Fluoro-6,7-dihydro-1,3-benzoxazole
CID 144710526
2-methyl-7H-1,3-benzoxazol-6-one
CID 21478685
2,6-Dimethyl-6,7-dihydro-1,3-benzoxazole
CID 90363971
2,5-Dimethyl-6,7-dihydro-1,3-benzoxazole
CID 90363986
2,5-Dimethyl-4-pent-2-en-3-yl-1,3-oxazole
CID 90849363
5-Butan-2-yl-4-(3-tert-butyl-3-methylpenta-1,4-dienyl)-2-methyl-1,3-oxazole
CID 91464198
4-Ethenyl-5-pent-2-en-3-yl-2-propan-2-yl-1,3-oxazole
CID 91529250
2-methyl-6,6a-dihydro-5aH-cyclopropa[g][1,3]benzoxazole
CID 117634161

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-6,7-dihydro-1,3-benzoxazole?
The IUPAC name of 5-chloro-2-methyl-6,7-dihydro-1,3-benzoxazole (CID 142292423) is 5-chloro-2-methyl-6,7-dihydro-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-2-methyl-6,7-dihydro-1,3-benzoxazole?
The canonical SMILES for 5-chloro-2-methyl-6,7-dihydro-1,3-benzoxazole is Cc1nc2c(o1)CCC(Cl)=C2.
What is the InChIKey of 5-chloro-2-methyl-6,7-dihydro-1,3-benzoxazole?
The InChIKey is LEIQUXACESUSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO/c1-5-10-7-4-6(9)2-3-8(7)11-5/h4H,2-3H2,1H3.
What are the key properties of 5-chloro-2-methyl-6,7-dihydro-1,3-benzoxazole?
5-chloro-2-methyl-6,7-dihydro-1,3-benzoxazole has a molecular weight of 169.61 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-6,7-dihydro-1,3-benzoxazole is sourced from PubChem (CID 142292423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).