1-[(3-methyl-1,2-benzoxazol-7-yl)methyl]cyclopropan-1-ol

C12H13NO2 — CID 117291575

IUPAC1-[(3-methyl-1,2-benzoxazol-7-yl)methyl]cyclopropan-1-ol
SMILESCc1noc2c(CC3(O)CC3)cccc12
InChIInChI=1S/C12H13NO2/c1-8-10-4-2-3-9(11(10)15-13-8)7-12(14)5-6-12/h2-4,14H,5-7H2,1H3
InChIKeyCBFWMTGHPXDWOP-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.20
Rot. Bonds2

About 1-[(3-methyl-1,2-benzoxazol-7-yl)methyl]cyclopropan-1-ol

1-[(3-methyl-1,2-benzoxazol-7-yl)methyl]cyclopropan-1-ol (PubChem CID 117291575) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-[(3-methyl-1,2-benzoxazol-7-yl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(3-methyl-1,2-benzoxazol-7-yl)methyl]cyclopropan-1-ol
PubChem CID117291575
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-[(3-methyl-1,2-benzoxazol-7-yl)methyl]cyclopropan-1-ol
SMILESCc1noc2c(CC3(O)CC3)cccc12
InChIInChI=1S/C12H13NO2/c1-8-10-4-2-3-9(11(10)15-13-8)7-12(14)5-6-12/h2-4,14H,5-7H2,1H3
InChIKeyCBFWMTGHPXDWOP-UHFFFAOYSA-N
XLogP2.20
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,2-benzoxazol-7-yl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(3-methyl-1,2-benzoxazol-7-yl)methyl]cyclopropan-1-ol (CID 117291575) is 1-[(3-methyl-1,2-benzoxazol-7-yl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(3-methyl-1,2-benzoxazol-7-yl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(3-methyl-1,2-benzoxazol-7-yl)methyl]cyclopropan-1-ol is Cc1noc2c(CC3(O)CC3)cccc12.
What is the InChIKey of 1-[(3-methyl-1,2-benzoxazol-7-yl)methyl]cyclopropan-1-ol?
The InChIKey is CBFWMTGHPXDWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8-10-4-2-3-9(11(10)15-13-8)7-12(14)5-6-12/h2-4,14H,5-7H2,1H3.
What are the key properties of 1-[(3-methyl-1,2-benzoxazol-7-yl)methyl]cyclopropan-1-ol?
1-[(3-methyl-1,2-benzoxazol-7-yl)methyl]cyclopropan-1-ol has a molecular weight of 203.24 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1,2-benzoxazol-7-yl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117291575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).