2-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazole-2,5-diamine

C11H14N4O — CID 103436488

IUPAC2-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCC(C)c1ccc(Nc2nnc(N)o2)cc1
InChIInChI=1S/C11H14N4O/c1-7(2)8-3-5-9(6-4-8)13-11-15-14-10(12)16-11/h3-7H,1-2H3,(H2,12,14)(H,13,15)
InChIKeyMQCOPOUGRYTKLO-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.52
Rot. Bonds3

About 2-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazole-2,5-diamine

2-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103436488) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID103436488
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCC(C)c1ccc(Nc2nnc(N)o2)cc1
InChIInChI=1S/C11H14N4O/c1-7(2)8-3-5-9(6-4-8)13-11-15-14-10(12)16-11/h3-7H,1-2H3,(H2,12,14)(H,13,15)
InChIKeyMQCOPOUGRYTKLO-UHFFFAOYSA-N
XLogP2.52
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-chloroethyl)-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine
CID 106959040
5-[1-(methylamino)ethyl]-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine
CID 106966724
4-[(5-amino-1,3,4-oxadiazol-2-yl)amino]benzamide
CID 103436486
1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 71359938
5-[(cyclopropylamino)methyl]-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine
CID 106966723
2-N-(4-propan-2-ylphenyl)-1,3-benzoxazole-2,6-diamine
CID 79890771
2-N-(4-methoxy-3-methylphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436739
2-N-(1-benzothiophen-5-yl)-1,3,4-oxadiazole-2,5-diamine
CID 103437072
2-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazole-2,5-diamine
CID 103436854
5-(1-aminoethyl)-N-phenyl-1,3,4-oxadiazol-2-amine
CID 103846511
(4-propan-2-ylphenyl)hydrazine
CID 2733249
3,5-di(propan-2-yl)-N-(4-propan-2-ylphenyl)aniline
CID 177290097

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazole-2,5-diamine (CID 103436488) is 2-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazole-2,5-diamine is CC(C)c1ccc(Nc2nnc(N)o2)cc1.
What is the InChIKey of 2-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is MQCOPOUGRYTKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-7(2)8-3-5-9(6-4-8)13-11-15-14-10(12)16-11/h3-7H,1-2H3,(H2,12,14)(H,13,15).
What are the key properties of 2-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazole-2,5-diamine?
2-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 218.26 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103436488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).