4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorobenzoic acid

C14H15ClN2O4 — CID 61320368

IUPAC4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorobenzoic acid
SMILESCCCCc1noc(COc2ccc(C(=O)O)cc2Cl)n1
InChIInChI=1S/C14H15ClN2O4/c1-2-3-4-12-16-13(21-17-12)8-20-11-6-5-9(14(18)19)7-10(11)15/h5-7H,2-4,8H2,1H3,(H,18,19)
InChIKeyFLGPNVUMOGGILP-UHFFFAOYSA-N
MW310.74 g/mol
LogP3.34
Rot. Bonds7

About 4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorobenzoic acid

4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorobenzoic acid (PubChem CID 61320368) has the molecular formula C14H15ClN2O4 and a molecular weight of 310.74 g/mol. Its IUPAC name is 4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorobenzoic acid.

Molecular Properties

Compound Name4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorobenzoic acid
PubChem CID61320368
Molecular FormulaC14H15ClN2O4
Molecular Weight310.74 g/mol
Exact Mass310.07
IUPAC Name4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorobenzoic acid
SMILESCCCCc1noc(COc2ccc(C(=O)O)cc2Cl)n1
InChIInChI=1S/C14H15ClN2O4/c1-2-3-4-12-16-13(21-17-12)8-20-11-6-5-9(14(18)19)7-10(11)15/h5-7H,2-4,8H2,1H3,(H,18,19)
InChIKeyFLGPNVUMOGGILP-UHFFFAOYSA-N
XLogP3.34
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]-5-iodobenzoic acid
CID 82991397
4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methoxybenzoic acid
CID 28781895
3-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]thiophene-2-carboxylic acid
CID 55201373
4-methoxy-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid
CID 61495281
3-chloro-4-dodecoxybenzoic acid;hydrochloride
CID 67895180
3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzoic acid
CID 45293842
methyl 4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]benzoate
CID 60724693
3,5-bis[(2,4-dichlorophenoxy)methyl]-1,2,4-oxadiazole
CID 2739092
5-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-3-carboxylic acid
CID 63850151
3-chloro-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82911293
3-chloro-4-(4-methoxybutoxy)benzoic acid
CID 104646800
2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 61495181

Frequently Asked Questions

What is the IUPAC name of 4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorobenzoic acid?
The IUPAC name of 4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorobenzoic acid (CID 61320368) is 4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorobenzoic acid.
What is the SMILES notation for 4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorobenzoic acid?
The canonical SMILES for 4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorobenzoic acid is CCCCc1noc(COc2ccc(C(=O)O)cc2Cl)n1.
What is the InChIKey of 4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorobenzoic acid?
The InChIKey is FLGPNVUMOGGILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4/c1-2-3-4-12-16-13(21-17-12)8-20-11-6-5-9(14(18)19)7-10(11)15/h5-7H,2-4,8H2,1H3,(H,18,19).
What are the key properties of 4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorobenzoic acid?
4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorobenzoic acid has a molecular weight of 310.74 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorobenzoic acid is sourced from PubChem (CID 61320368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).