2-[1-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]cyclopentyl]acetic acid

C15H15ClFNO3 — CID 82721742

IUPAC2-[1-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(Cc2nc3cc(Cl)c(F)cc3o2)CCCC1
InChIInChI=1S/C15H15ClFNO3/c16-9-5-11-12(6-10(9)17)21-13(18-11)7-15(8-14(19)20)3-1-2-4-15/h5-6H,1-4,7-8H2,(H,19,20)
InChIKeyUJNODWUVXHOKJQ-UHFFFAOYSA-N
MW311.74 g/mol
LogP4.20
Rot. Bonds4

About 2-[1-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]cyclopentyl]acetic acid

2-[1-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]cyclopentyl]acetic acid (PubChem CID 82721742) has the molecular formula C15H15ClFNO3 and a molecular weight of 311.74 g/mol. Its IUPAC name is 2-[1-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]cyclopentyl]acetic acid
PubChem CID82721742
Molecular FormulaC15H15ClFNO3
Molecular Weight311.74 g/mol
Exact Mass311.07
IUPAC Name2-[1-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(Cc2nc3cc(Cl)c(F)cc3o2)CCCC1
InChIInChI=1S/C15H15ClFNO3/c16-9-5-11-12(6-10(9)17)21-13(18-11)7-15(8-14(19)20)3-1-2-4-15/h5-6H,1-4,7-8H2,(H,19,20)
InChIKeyUJNODWUVXHOKJQ-UHFFFAOYSA-N
XLogP4.20
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.74
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]cyclopentyl]acetic acid (CID 82721742) is 2-[1-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]cyclopentyl]acetic acid is O=C(O)CC1(Cc2nc3cc(Cl)c(F)cc3o2)CCCC1.
What is the InChIKey of 2-[1-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]cyclopentyl]acetic acid?
The InChIKey is UJNODWUVXHOKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO3/c16-9-5-11-12(6-10(9)17)21-13(18-11)7-15(8-14(19)20)3-1-2-4-15/h5-6H,1-4,7-8H2,(H,19,20).
What are the key properties of 2-[1-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]cyclopentyl]acetic acid?
2-[1-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]cyclopentyl]acetic acid has a molecular weight of 311.74 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]cyclopentyl]acetic acid is sourced from PubChem (CID 82721742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).