1,3-benzoxazol-2-ylmethyl 1-(2-fluorophenyl)cyclopropane-1-carboxylate

C18H14FNO3 — CID 75421638

IUPAC1,3-benzoxazol-2-ylmethyl 1-(2-fluorophenyl)cyclopropane-1-carboxylate
SMILESO=C(OCc1nc2ccccc2o1)C1(c2ccccc2F)CC1
InChIInChI=1S/C18H14FNO3/c19-13-6-2-1-5-12(13)18(9-10-18)17(21)22-11-16-20-14-7-3-4-8-15(14)23-16/h1-8H,9-11H2
InChIKeyUDLHJKNEFYHYKX-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.74
Rot. Bonds4

About 1,3-benzoxazol-2-ylmethyl 1-(2-fluorophenyl)cyclopropane-1-carboxylate

1,3-benzoxazol-2-ylmethyl 1-(2-fluorophenyl)cyclopropane-1-carboxylate (PubChem CID 75421638) has the molecular formula C18H14FNO3 and a molecular weight of 311.31 g/mol. Its IUPAC name is 1,3-benzoxazol-2-ylmethyl 1-(2-fluorophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name1,3-benzoxazol-2-ylmethyl 1-(2-fluorophenyl)cyclopropane-1-carboxylate
PubChem CID75421638
Molecular FormulaC18H14FNO3
Molecular Weight311.31 g/mol
Exact Mass311.10
IUPAC Name1,3-benzoxazol-2-ylmethyl 1-(2-fluorophenyl)cyclopropane-1-carboxylate
SMILESO=C(OCc1nc2ccccc2o1)C1(c2ccccc2F)CC1
InChIInChI=1S/C18H14FNO3/c19-13-6-2-1-5-12(13)18(9-10-18)17(21)22-11-16-20-14-7-3-4-8-15(14)23-16/h1-8H,9-11H2
InChIKeyUDLHJKNEFYHYKX-UHFFFAOYSA-N
XLogP3.74
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-benzoxazol-2-ylmethyl 2-(4-methoxyphenyl)acetate
CID 25498133
1,3-benzoxazol-2-ylmethyl 3,5-dimethylbenzoate
CID 9449734
1,3-benzoxazol-2-ylmethyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 9458118
1,3-benzoxazol-2-ylmethyl (E)-3-(5-bromo-2-fluorophenyl)prop-2-enoate
CID 9458255
2-(1,3-benzoxazol-2-ylmethoxy)benzoic acid
CID 43214774
1,3-benzoxazol-2-ylmethyl 2-(difluoromethoxy)benzoate
CID 18192162
1,3-benzoxazol-2-ylmethyl (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 40764063
1,3-benzoxazol-2-ylmethyl 3-hydroxynaphthalene-2-carboxylate
CID 40734632
1,3-benzoxazol-2-ylmethyl (3aS)-1,5-dioxo-4-propan-2-yl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
CID 8665062
1,3-benzoxazol-2-ylmethyl 4-[(2-amino-2-oxoethyl)amino]benzoate
CID 71938022
1,3-benzoxazol-2-ylmethyl 2-(1H-indol-3-yl)acetate
CID 40735475
1,3-benzoxazol-2-ylmethyl 4-(dimethylamino)benzoate
CID 9325069

Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazol-2-ylmethyl 1-(2-fluorophenyl)cyclopropane-1-carboxylate?
The IUPAC name of 1,3-benzoxazol-2-ylmethyl 1-(2-fluorophenyl)cyclopropane-1-carboxylate (CID 75421638) is 1,3-benzoxazol-2-ylmethyl 1-(2-fluorophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for 1,3-benzoxazol-2-ylmethyl 1-(2-fluorophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for 1,3-benzoxazol-2-ylmethyl 1-(2-fluorophenyl)cyclopropane-1-carboxylate is O=C(OCc1nc2ccccc2o1)C1(c2ccccc2F)CC1.
What is the InChIKey of 1,3-benzoxazol-2-ylmethyl 1-(2-fluorophenyl)cyclopropane-1-carboxylate?
The InChIKey is UDLHJKNEFYHYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3/c19-13-6-2-1-5-12(13)18(9-10-18)17(21)22-11-16-20-14-7-3-4-8-15(14)23-16/h1-8H,9-11H2.
What are the key properties of 1,3-benzoxazol-2-ylmethyl 1-(2-fluorophenyl)cyclopropane-1-carboxylate?
1,3-benzoxazol-2-ylmethyl 1-(2-fluorophenyl)cyclopropane-1-carboxylate has a molecular weight of 311.31 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoxazol-2-ylmethyl 1-(2-fluorophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 75421638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).