1-[(6-chloro-1,3-benzoxazol-2-yl)methyl]cyclopentane-1-carboxylic acid

C14H14ClNO3 — CID 81433634

IUPAC1-[(6-chloro-1,3-benzoxazol-2-yl)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Cc2nc3ccc(Cl)cc3o2)CCCC1
InChIInChI=1S/C14H14ClNO3/c15-9-3-4-10-11(7-9)19-12(16-10)8-14(13(17)18)5-1-2-6-14/h3-4,7H,1-2,5-6,8H2,(H,17,18)
InChIKeyVNQPGGDNXKVSAL-UHFFFAOYSA-N
MW279.72 g/mol
LogP3.67
Rot. Bonds3

About 1-[(6-chloro-1,3-benzoxazol-2-yl)methyl]cyclopentane-1-carboxylic acid

1-[(6-chloro-1,3-benzoxazol-2-yl)methyl]cyclopentane-1-carboxylic acid (PubChem CID 81433634) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is 1-[(6-chloro-1,3-benzoxazol-2-yl)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(6-chloro-1,3-benzoxazol-2-yl)methyl]cyclopentane-1-carboxylic acid
PubChem CID81433634
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Name1-[(6-chloro-1,3-benzoxazol-2-yl)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Cc2nc3ccc(Cl)cc3o2)CCCC1
InChIInChI=1S/C14H14ClNO3/c15-9-3-4-10-11(7-9)19-12(16-10)8-14(13(17)18)5-1-2-6-14/h3-4,7H,1-2,5-6,8H2,(H,17,18)
InChIKeyVNQPGGDNXKVSAL-UHFFFAOYSA-N
XLogP3.67
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-methyl-1,3-benzoxazol-2-yl)methyl]cyclohexane-1-carboxylic acid
CID 60917797
1-[(7-chloro-1,3-benzoxazol-2-yl)methyl]cycloheptane-1-carboxylic acid
CID 81422823
3-(6-chloro-1,3-benzoxazol-2-yl)propanoic acid
CID 81433022
1-[(6-chloro-1,3-benzothiazol-2-yl)methyl]cycloheptane-1-carboxylic acid
CID 79525109
2-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-2-ethylbutanoic acid
CID 81434287
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
CID 43471028
6-chloro-2-(chloromethyl)-1,3-benzoxazole
CID 16767389
1-[(5-chloro-1,3-benzothiazol-2-yl)methyl]cycloheptane-1-carboxylic acid
CID 43470944
2-[1-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]cyclopentyl]acetic acid
CID 82721742
1-(6-chloro-1,3-benzoxazol-2-yl)cyclohexan-1-amine
CID 81433944
N-[2-(6-chloro-1,3-benzoxazol-2-yl)ethyl]propan-2-amine
CID 81432956
[1-(6-chloro-1,3-benzoxazol-2-yl)cyclobutyl]methanamine
CID 115446195

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-1,3-benzoxazol-2-yl)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(6-chloro-1,3-benzoxazol-2-yl)methyl]cyclopentane-1-carboxylic acid (CID 81433634) is 1-[(6-chloro-1,3-benzoxazol-2-yl)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(6-chloro-1,3-benzoxazol-2-yl)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(6-chloro-1,3-benzoxazol-2-yl)methyl]cyclopentane-1-carboxylic acid is O=C(O)C1(Cc2nc3ccc(Cl)cc3o2)CCCC1.
What is the InChIKey of 1-[(6-chloro-1,3-benzoxazol-2-yl)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is VNQPGGDNXKVSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c15-9-3-4-10-11(7-9)19-12(16-10)8-14(13(17)18)5-1-2-6-14/h3-4,7H,1-2,5-6,8H2,(H,17,18).
What are the key properties of 1-[(6-chloro-1,3-benzoxazol-2-yl)methyl]cyclopentane-1-carboxylic acid?
1-[(6-chloro-1,3-benzoxazol-2-yl)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 279.72 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-1,3-benzoxazol-2-yl)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 81433634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).