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

C15H20N4O2 — CID 106960743

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCCNCc1nnc(NC2CCOc3ccccc32)o1
InChIInChI=1S/C15H20N4O2/c1-2-8-16-10-14-18-19-15(21-14)17-12-7-9-20-13-6-4-3-5-11(12)13/h3-6,12,16H,2,7-10H2,1H3,(H,17,19)
InChIKeyNMZRGLGGPADEHA-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.50
Rot. Bonds6

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

N-(3,4-dihydro-2H-chromen-4-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106960743) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106960743
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCCNCc1nnc(NC2CCOc3ccccc32)o1
InChIInChI=1S/C15H20N4O2/c1-2-8-16-10-14-18-19-15(21-14)17-12-7-9-20-13-6-4-3-5-11(12)13/h3-6,12,16H,2,7-10H2,1H3,(H,17,19)
InChIKeyNMZRGLGGPADEHA-UHFFFAOYSA-N
XLogP2.50
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-propylpyridine-2,6-diamine
CID 80801326
N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106967300
N-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-2-amine
CID 62961004
N-[[2-(3,4-dihydro-2H-chromen-4-yl)pyrimidin-4-yl]methyl]propan-1-amine
CID 65404275
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 62139591
5-(propylaminomethyl)-N-(thian-3-yl)-1,3,4-oxadiazol-2-amine
CID 106965479
N-(oxolan-3-ylmethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960664
4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80801156
4-(3,4-dihydro-2H-chromen-4-yl)-2-methyl-N-propylbutan-1-amine
CID 104771888
N-(2,3-dihydro-1H-inden-2-yl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 107856398
N-(3,4-dihydro-2H-chromen-4-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 62366966
N-(1-phenylpropan-2-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960985

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine (CID 106960743) is N-(3,4-dihydro-2H-chromen-4-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine is CCCNCc1nnc(NC2CCOc3ccccc32)o1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is NMZRGLGGPADEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-8-16-10-14-18-19-15(21-14)17-12-7-9-20-13-6-4-3-5-11(12)13/h3-6,12,16H,2,7-10H2,1H3,(H,17,19).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
N-(3,4-dihydro-2H-chromen-4-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 288.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).