N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine

C15H22N4O — CID 107441440

IUPACN'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCc1noc(-c2ccccc2NCC(CN)C(C)C)n1
InChIInChI=1S/C15H22N4O/c1-10(2)12(8-16)9-17-14-7-5-4-6-13(14)15-18-11(3)19-20-15/h4-7,10,12,17H,8-9,16H2,1-3H3
InChIKeyVBCNZCJANAGEHN-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.69
Rot. Bonds6

About N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine

N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine (PubChem CID 107441440) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine
PubChem CID107441440
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCc1noc(-c2ccccc2NCC(CN)C(C)C)n1
InChIInChI=1S/C15H22N4O/c1-10(2)12(8-16)9-17-14-7-5-4-6-13(14)15-18-11(3)19-20-15/h4-7,10,12,17H,8-9,16H2,1-3H3
InChIKeyVBCNZCJANAGEHN-UHFFFAOYSA-N
XLogP2.69
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]propane-1,2-diol
CID 168593514
N-(1,1-difluoropropan-2-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 102868329
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-methylpentan-3-yl)aniline
CID 43779863
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(4-methylphenyl)methyl]aniline
CID 43678196
N'-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441578
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(propan-2-ylamino)acetamide
CID 60841655
4-amino-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]butanamide
CID 80543433
N-[(4-bromophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 43678190
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)aniline
CID 43678210
N-[(2-bromophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 43678230
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)aniline
CID 43678243
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62328746

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine (CID 107441440) is N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine is Cc1noc(-c2ccccc2NCC(CN)C(C)C)n1.
What is the InChIKey of N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is VBCNZCJANAGEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-10(2)12(8-16)9-17-14-7-5-4-6-13(14)15-18-11(3)19-20-15/h4-7,10,12,17H,8-9,16H2,1-3H3.
What are the key properties of N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine?
N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 274.37 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 107441440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).