N-(2-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine

C14H20N4O — CID 106968365

IUPACN-(2-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(Nc2ccccc2C)o1
InChIInChI=1S/C14H20N4O/c1-4-9-15-11(3)13-17-18-14(19-13)16-12-8-6-5-7-10(12)2/h5-8,11,15H,4,9H2,1-3H3,(H,16,18)
InChIKeyDZHWHYCQOIPWFE-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.18
Rot. Bonds6

About N-(2-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine

N-(2-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106968365) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(2-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106968365
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-(2-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(Nc2ccccc2C)o1
InChIInChI=1S/C14H20N4O/c1-4-9-15-11(3)13-17-18-14(19-13)16-12-8-6-5-7-10(12)2/h5-8,11,15H,4,9H2,1-3H3,(H,16,18)
InChIKeyDZHWHYCQOIPWFE-UHFFFAOYSA-N
XLogP3.18
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106968064
N-(2,3-dimethylphenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106967995
N-(2-bromo-5-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106963884
N-(2,5-dichlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966196
N-ethyl-N-(2-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966906
N-(1-phenylpropyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106960360
N-(2,3-difluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969735
N-[(4-ethylphenyl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106967432
N-(2,3-dihydro-1H-inden-5-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966784
N-(4-bromo-3-chlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 107618278
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106962643
5-[1-(ethylamino)ethyl]-N-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106967242

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(2-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 106968365) is N-(2-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(2-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(2-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is CCCNC(C)c1nnc(Nc2ccccc2C)o1.
What is the InChIKey of N-(2-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is DZHWHYCQOIPWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-9-15-11(3)13-17-18-14(19-13)16-12-8-6-5-7-10(12)2/h5-8,11,15H,4,9H2,1-3H3,(H,16,18).
What are the key properties of N-(2-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
N-(2-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 260.34 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106968365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).