N'-tert-butyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]ethane-1,2-diamine

C14H20N4O — CID 107444720

IUPACN'-tert-butyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]ethane-1,2-diamine
SMILESCC(C)(C)NCCNc1cccc(-c2nnco2)c1
InChIInChI=1S/C14H20N4O/c1-14(2,3)16-8-7-15-12-6-4-5-11(9-12)13-18-17-10-19-13/h4-6,9-10,15-16H,7-8H2,1-3H3
InChIKeyHBVYXBPHPDAHTC-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.54
Rot. Bonds5

About N'-tert-butyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]ethane-1,2-diamine

N'-tert-butyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]ethane-1,2-diamine (PubChem CID 107444720) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N'-tert-butyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]ethane-1,2-diamine
PubChem CID107444720
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN'-tert-butyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]ethane-1,2-diamine
SMILESCC(C)(C)NCCNc1cccc(-c2nnco2)c1
InChIInChI=1S/C14H20N4O/c1-14(2,3)16-8-7-15-12-6-4-5-11(9-12)13-18-17-10-19-13/h4-6,9-10,15-16H,7-8H2,1-3H3
InChIKeyHBVYXBPHPDAHTC-UHFFFAOYSA-N
XLogP2.54
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxy-3-methylbutyl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 106675096
N-(2,2-dimethoxyethyl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 63685700
2-methyl-2-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]butan-1-ol
CID 81413545
N-[(3-methylthiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 28713589
2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]butan-2-ol
CID 65333020
(2R)-2-amino-3,3-dimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]butanamide
CID 103929614
N-[(1-methyltriazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 62756480
N-[(1-methylpyrrol-3-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 66397871
N-(3-methylbutan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43206454
3-(1,3,4-oxadiazol-2-yl)-N-(1-phenylethyl)aniline
CID 43206434
[5-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]furan-2-yl]methanol
CID 64579745
4-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]benzonitrile
CID 28713696

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]ethane-1,2-diamine (CID 107444720) is N'-tert-butyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]ethane-1,2-diamine is CC(C)(C)NCCNc1cccc(-c2nnco2)c1.
What is the InChIKey of N'-tert-butyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]ethane-1,2-diamine?
The InChIKey is HBVYXBPHPDAHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-14(2,3)16-8-7-15-12-6-4-5-11(9-12)13-18-17-10-19-13/h4-6,9-10,15-16H,7-8H2,1-3H3.
What are the key properties of N'-tert-butyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]ethane-1,2-diamine?
N'-tert-butyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]ethane-1,2-diamine has a molecular weight of 260.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 107444720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).