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

C16H19N3O2 — CID 63589115

IUPACN-[2-[5-(3,4-dihydro-2H-chromen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
SMILESc1ccc2c(c1)CC(c1nnc(CCNC3CC3)o1)CO2
InChIInChI=1S/C16H19N3O2/c1-2-4-14-11(3-1)9-12(10-20-14)16-19-18-15(21-16)7-8-17-13-5-6-13/h1-4,12-13,17H,5-10H2
InChIKeyKPVDTKVGGWNLHM-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.08
Rot. Bonds5

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

N-[2-[5-(3,4-dihydro-2H-chromen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine (PubChem CID 63589115) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[2-[5-(3,4-dihydro-2H-chromen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[5-(3,4-dihydro-2H-chromen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
PubChem CID63589115
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[2-[5-(3,4-dihydro-2H-chromen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
SMILESc1ccc2c(c1)CC(c1nnc(CCNC3CC3)o1)CO2
InChIInChI=1S/C16H19N3O2/c1-2-4-14-11(3-1)9-12(10-20-14)16-19-18-15(21-16)7-8-17-13-5-6-13/h1-4,12-13,17H,5-10H2
InChIKeyKPVDTKVGGWNLHM-UHFFFAOYSA-N
XLogP2.08
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[5-(3,4-dihydro-2H-chromen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine with MolForge

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Related Compounds

ethyl 5-(3,4-dihydro-2H-chromen-3-yl)-1,3,4-oxadiazole-2-carboxylate
CID 115960744
2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]amino]ethanol
CID 155711300
N-[2-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 62214456
N-[2-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 65409383
5-[2-(cyclopropylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 82468042
2-[5-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 63589294
N-[2-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanamine
CID 62162767
N-[2-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 55044397
1,1-dioxo-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]thiolan-3-amine
CID 110653681
N-[2-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 62960149
N-[2-[5-[(3-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 62163473
5-(2-chloroethyl)-3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazole
CID 65415288

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(3,4-dihydro-2H-chromen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[5-(3,4-dihydro-2H-chromen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine (CID 63589115) is N-[2-[5-(3,4-dihydro-2H-chromen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[5-(3,4-dihydro-2H-chromen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[5-(3,4-dihydro-2H-chromen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine is c1ccc2c(c1)CC(c1nnc(CCNC3CC3)o1)CO2.
What is the InChIKey of N-[2-[5-(3,4-dihydro-2H-chromen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine?
The InChIKey is KPVDTKVGGWNLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-4-14-11(3-1)9-12(10-20-14)16-19-18-15(21-16)7-8-17-13-5-6-13/h1-4,12-13,17H,5-10H2.
What are the key properties of N-[2-[5-(3,4-dihydro-2H-chromen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine?
N-[2-[5-(3,4-dihydro-2H-chromen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine has a molecular weight of 285.35 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(3,4-dihydro-2H-chromen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 63589115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).