3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-amine

C11H11N3O2 — CID 65406401

IUPAC3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-amine
SMILESNc1nc(C2CCOc3ccccc32)no1
InChIInChI=1S/C11H11N3O2/c12-11-13-10(14-16-11)8-5-6-15-9-4-2-1-3-7(8)9/h1-4,8H,5-6H2,(H2,12,13,14)
InChIKeyRWQYUCFVPZVEOC-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.57
Rot. Bonds1

About 3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-amine

3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-amine (PubChem CID 65406401) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-amine
PubChem CID65406401
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-amine
SMILESNc1nc(C2CCOc3ccccc32)no1
InChIInChI=1S/C11H11N3O2/c12-11-13-10(14-16-11)8-5-6-15-9-4-2-1-3-7(8)9/h1-4,8H,5-6H2,(H2,12,13,14)
InChIKeyRWQYUCFVPZVEOC-UHFFFAOYSA-N
XLogP1.57
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65405097
1-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 65414507
2-[[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81065351
2-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 65414307
methyl 2-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474215
N-[[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine
CID 79274035
5-(azetidin-3-ylmethyl)-3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazole
CID 65413082
3-(3,4-dihydro-2H-chromen-4-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914990
1-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 65405099
3-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 65404496
1-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 65415516
3-(3,4-dihydro-2H-chromen-4-yl)-5-(4-methylquinolin-2-yl)-1,2,4-oxadiazole
CID 167899817

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-amine (CID 65406401) is 3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-amine is Nc1nc(C2CCOc3ccccc32)no1.
What is the InChIKey of 3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-amine?
The InChIKey is RWQYUCFVPZVEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c12-11-13-10(14-16-11)8-5-6-15-9-4-2-1-3-7(8)9/h1-4,8H,5-6H2,(H2,12,13,14).
What are the key properties of 3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-amine?
3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-amine has a molecular weight of 217.23 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 65406401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).