N-cyclopropyl-3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-amine

C14H15N3O — CID 65405431

IUPACN-cyclopropyl-3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-amine
SMILESc1ccc2c(c1)CC(c1noc(NC3CC3)n1)C2
InChIInChI=1S/C14H15N3O/c1-2-4-10-8-11(7-9(10)3-1)13-16-14(18-17-13)15-12-5-6-12/h1-4,11-12H,5-8H2,(H,15,16,17)
InChIKeyOEDWVEIUIDBLLK-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.53
Rot. Bonds3

About N-cyclopropyl-3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-amine

N-cyclopropyl-3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-amine (PubChem CID 65405431) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-cyclopropyl-3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-amine
PubChem CID65405431
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-cyclopropyl-3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-amine
SMILESc1ccc2c(c1)CC(c1noc(NC3CC3)n1)C2
InChIInChI=1S/C14H15N3O/c1-2-4-10-8-11(7-9(10)3-1)13-16-14(18-17-13)15-12-5-6-12/h1-4,11-12H,5-8H2,(H,15,16,17)
InChIKeyOEDWVEIUIDBLLK-UHFFFAOYSA-N
XLogP2.53
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,3-dicyclopropyl-1,2,4-oxadiazol-5-amine
CID 62594867
5-(1-chloroethyl)-3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazole
CID 65415290
N-cyclopropyl-3-(2,3-dihydro-1,4-benzoxathiin-2-yl)-1,2,4-oxadiazol-5-amine
CID 106601961
2-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 65415533
1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 65415723
N-[2-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 65409383
N-cyclopropyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 62595048
1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
CID 65404515
3-(2,3-dihydro-1H-inden-2-yl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911895
N-cyclopropyl-3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-amine
CID 63078828
3-(2,3-dihydro-1H-inden-2-yl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 79371057
3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474143

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-cyclopropyl-3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-amine (CID 65405431) is N-cyclopropyl-3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-cyclopropyl-3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-cyclopropyl-3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-amine is c1ccc2c(c1)CC(c1noc(NC3CC3)n1)C2.
What is the InChIKey of N-cyclopropyl-3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-amine?
The InChIKey is OEDWVEIUIDBLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-2-4-10-8-11(7-9(10)3-1)13-16-14(18-17-13)15-12-5-6-12/h1-4,11-12H,5-8H2,(H,15,16,17).
What are the key properties of N-cyclopropyl-3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-amine?
N-cyclopropyl-3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-amine has a molecular weight of 241.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 65405431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).