2-[5-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine

C13H15N3O2 — CID 63589294

IUPAC2-[5-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESNCCc1noc(C2COc3ccccc3C2)n1
InChIInChI=1S/C13H15N3O2/c14-6-5-12-15-13(18-16-12)10-7-9-3-1-2-4-11(9)17-8-10/h1-4,10H,5-8,14H2
InChIKeySAJYELNSGZXUSK-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.29
Rot. Bonds3

About 2-[5-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine

2-[5-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 63589294) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[5-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID63589294
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-[5-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESNCCc1noc(C2COc3ccccc3C2)n1
InChIInChI=1S/C13H15N3O2/c14-6-5-12-15-13(18-16-12)10-7-9-3-1-2-4-11(9)17-8-10/h1-4,10H,5-8,14H2
InChIKeySAJYELNSGZXUSK-UHFFFAOYSA-N
XLogP1.29
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

ethyl 5-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazole-3-carboxylate
CID 63590004
(3R)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 97156039
2-[5-(2,3-dihydro-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 79206528
5-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 29170089
1-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 106894106
4-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66239500
5-(2-chloroethyl)-3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazole
CID 65415288
2-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 62720048
2-[[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81066199
5-[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 100677731
(1R)-1-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 104904201
1-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 65412686

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-[5-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 63589294) is 2-[5-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine is NCCc1noc(C2COc3ccccc3C2)n1.
What is the InChIKey of 2-[5-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is SAJYELNSGZXUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-6-5-12-15-13(18-16-12)10-7-9-3-1-2-4-11(9)17-8-10/h1-4,10H,5-8,14H2.
What are the key properties of 2-[5-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
2-[5-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 245.28 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 63589294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).