5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazole-2-carboxylic acid

C14H10N2O3 — CID 112619454

IUPAC5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazole-2-carboxylic acid
SMILESO=C(O)c1nnc(Cc2cccc3ccccc23)o1
InChIInChI=1S/C14H10N2O3/c17-14(18)13-16-15-12(19-13)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,17,18)
InChIKeyFBOJTVCQKCBGDP-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.51
Rot. Bonds3

About 5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazole-2-carboxylic acid

5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazole-2-carboxylic acid (PubChem CID 112619454) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazole-2-carboxylic acid
PubChem CID112619454
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazole-2-carboxylic acid
SMILESO=C(O)c1nnc(Cc2cccc3ccccc23)o1
InChIInChI=1S/C14H10N2O3/c17-14(18)13-16-15-12(19-13)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,17,18)
InChIKeyFBOJTVCQKCBGDP-UHFFFAOYSA-N
XLogP2.51
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazole-2-carboxylic acid
CID 82128802
N-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 62137227
4-(naphthalen-1-ylmethyl)pyridazine-3-carboxylic acid
CID 91583170
carbamic acid;naphthalen-1-ylmethanol
CID 71402043
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
5-[(4-tert-butylphenyl)methyl]-1,3,4-oxadiazole-2-carboxylic acid
CID 82132783
5-(2-phenoxyethyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 112619546
2-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 1300357
CID 66760372
CID 66760372
potassium;2-naphthalen-1-ylacetic acid;hydroxide
CID 174974988
5-benzyl-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 110393203
N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 43973784

Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazole-2-carboxylic acid?
The IUPAC name of 5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazole-2-carboxylic acid (CID 112619454) is 5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazole-2-carboxylic acid.
What is the SMILES notation for 5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazole-2-carboxylic acid?
The canonical SMILES for 5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazole-2-carboxylic acid is O=C(O)c1nnc(Cc2cccc3ccccc23)o1.
What is the InChIKey of 5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazole-2-carboxylic acid?
The InChIKey is FBOJTVCQKCBGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c17-14(18)13-16-15-12(19-13)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,17,18).
What are the key properties of 5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazole-2-carboxylic acid?
5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazole-2-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazole-2-carboxylic acid is sourced from PubChem (CID 112619454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).