4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)butan-2-ol

C16H16N2O2 — CID 63346200

IUPAC4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
SMILESCC(O)CCc1nc(-c2cccc3ccccc23)no1
InChIInChI=1S/C16H16N2O2/c1-11(19)9-10-15-17-16(18-20-15)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,11,19H,9-10H2,1H3
InChIKeyBNWYPKCQUZFVRA-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.20
Rot. Bonds4

About 4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)butan-2-ol

4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)butan-2-ol (PubChem CID 63346200) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
PubChem CID63346200
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
SMILESCC(O)CCc1nc(-c2cccc3ccccc23)no1
InChIInChI=1S/C16H16N2O2/c1-11(19)9-10-15-17-16(18-20-15)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,11,19H,9-10H2,1H3
InChIKeyBNWYPKCQUZFVRA-UHFFFAOYSA-N
XLogP3.20
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62716729
4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345489
3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)-N-(4-phenylbutan-2-yl)propanamide
CID 133244418
N-[(2S)-butan-2-yl]-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761242
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63345084
(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
CID 121237656
1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-one
CID 63344511
3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol
CID 63346107
N-(2,6-dimethylphenyl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761441
2-methyl-N-[(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 63771665
1-methoxy-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-2-one
CID 63344557
N-benzhydryl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100762045

Frequently Asked Questions

What is the IUPAC name of 4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The IUPAC name of 4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)butan-2-ol (CID 63346200) is 4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)butan-2-ol.
What is the SMILES notation for 4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The canonical SMILES for 4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)butan-2-ol is CC(O)CCc1nc(-c2cccc3ccccc23)no1.
What is the InChIKey of 4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The InChIKey is BNWYPKCQUZFVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11(19)9-10-15-17-16(18-20-15)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,11,19H,9-10H2,1H3.
What are the key properties of 4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)butan-2-ol?
4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)butan-2-ol has a molecular weight of 268.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)butan-2-ol is sourced from PubChem (CID 63346200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).