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

C14H17N3O2 — CID 55225505

IUPAC3-[5-(3,4-dihydro-2H-chromen-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESNCCCc1nnc(C2CCOc3ccccc32)o1
InChIInChI=1S/C14H17N3O2/c15-8-3-6-13-16-17-14(19-13)11-7-9-18-12-5-2-1-4-10(11)12/h1-2,4-5,11H,3,6-9,15H2
InChIKeyDHDGJVNWUVUQRV-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.88
Rot. Bonds4

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

3-[5-(3,4-dihydro-2H-chromen-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 55225505) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[5-(3,4-dihydro-2H-chromen-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(3,4-dihydro-2H-chromen-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID55225505
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-[5-(3,4-dihydro-2H-chromen-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESNCCCc1nnc(C2CCOc3ccccc32)o1
InChIInChI=1S/C14H17N3O2/c15-8-3-6-13-16-17-14(19-13)11-7-9-18-12-5-2-1-4-10(11)12/h1-2,4-5,11H,3,6-9,15H2
InChIKeyDHDGJVNWUVUQRV-UHFFFAOYSA-N
XLogP1.88
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-(2-chloroethyl)-5-(3,4-dihydro-2H-chromen-4-yl)-1,3,4-oxadiazole
CID 63709734
3-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-1-amine
CID 106220803
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
3-bromo-5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazole
CID 112571434
2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride
CID 175798234
4-(chloromethyl)-2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole
CID 65406536
3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-amine
CID 65406401
6-amino-1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one
CID 116571971
1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 63710487
2-[(4S)-3,4-dihydro-2H-chromen-4-yl]guanidine
CID 94480482
[2-(3,4-dihydro-2H-chromen-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361553

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,4-dihydro-2H-chromen-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(3,4-dihydro-2H-chromen-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 55225505) is 3-[5-(3,4-dihydro-2H-chromen-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(3,4-dihydro-2H-chromen-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(3,4-dihydro-2H-chromen-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is NCCCc1nnc(C2CCOc3ccccc32)o1.
What is the InChIKey of 3-[5-(3,4-dihydro-2H-chromen-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is DHDGJVNWUVUQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-8-3-6-13-16-17-14(19-13)11-7-9-18-12-5-2-1-4-10(11)12/h1-2,4-5,11H,3,6-9,15H2.
What are the key properties of 3-[5-(3,4-dihydro-2H-chromen-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
3-[5-(3,4-dihydro-2H-chromen-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 259.31 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,4-dihydro-2H-chromen-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 55225505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).