4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine

C16H14N4O — CID 65414106

IUPAC4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESNc1cnccc1-c1nc(C2Cc3ccccc3C2)no1
InChIInChI=1S/C16H14N4O/c17-14-9-18-6-5-13(14)16-19-15(20-21-16)12-7-10-3-1-2-4-11(10)8-12/h1-6,9,12H,7-8,17H2
InChIKeyZAWDHNMQTNMLDZ-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.60
Rot. Bonds2

About 4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine

4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine (PubChem CID 65414106) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
PubChem CID65414106
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESNc1cnccc1-c1nc(C2Cc3ccccc3C2)no1
InChIInChI=1S/C16H14N4O/c17-14-9-18-6-5-13(14)16-19-15(20-21-16)12-7-10-3-1-2-4-11(10)8-12/h1-6,9,12H,7-8,17H2
InChIKeyZAWDHNMQTNMLDZ-UHFFFAOYSA-N
XLogP2.60
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine
CID 64982482
3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
CID 65414515
4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
CID 65406481
3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 65415115
4-[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 115385116
4-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 103344502
5-(1-chloroethyl)-3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazole
CID 65415290
2-[5-(3-amino-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104827143
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)naphthalen-2-amine
CID 60921785
2-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]-5-fluoroaniline
CID 64982488
4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 79613889
2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 114016525

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The IUPAC name of 4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine (CID 65414106) is 4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine.
What is the SMILES notation for 4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The canonical SMILES for 4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine is Nc1cnccc1-c1nc(C2Cc3ccccc3C2)no1.
What is the InChIKey of 4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The InChIKey is ZAWDHNMQTNMLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c17-14-9-18-6-5-13(14)16-19-15(20-21-16)12-7-10-3-1-2-4-11(10)8-12/h1-6,9,12H,7-8,17H2.
What are the key properties of 4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine has a molecular weight of 278.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 65414106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).