3-(1,3,4-oxadiazol-2-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline

C15H17N5O — CID 66129680

IUPAC3-(1,3,4-oxadiazol-2-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
SMILESCC(C)n1cncc1CNc1cccc(-c2nnco2)c1
InChIInChI=1S/C15H17N5O/c1-11(2)20-9-16-7-14(20)8-17-13-5-3-4-12(6-13)15-19-18-10-21-15/h3-7,9-11,17H,8H2,1-2H3
InChIKeyDBNQAKVPSKBBAA-UHFFFAOYSA-N
MW283.34 g/mol
LogP3.13
Rot. Bonds5

About 3-(1,3,4-oxadiazol-2-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline

3-(1,3,4-oxadiazol-2-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline (PubChem CID 66129680) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 3-(1,3,4-oxadiazol-2-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name3-(1,3,4-oxadiazol-2-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
PubChem CID66129680
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name3-(1,3,4-oxadiazol-2-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
SMILESCC(C)n1cncc1CNc1cccc(-c2nnco2)c1
InChIInChI=1S/C15H17N5O/c1-11(2)20-9-16-7-14(20)8-17-13-5-3-4-12(6-13)15-19-18-10-21-15/h3-7,9-11,17H,8H2,1-2H3
InChIKeyDBNQAKVPSKBBAA-UHFFFAOYSA-N
XLogP3.13
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(1,3,4-oxadiazol-2-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline with MolForge

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Related Compounds

N-(tert-butyl)-1-(1-(5-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)piperidin-4-yl)-1H-imidazole-5-carboxamide
CID 134612039
US10590140, Example 100
CID 132088780
US10590140, Example 97
CID 132089169
US10590140, Example 107
CID 132089220
Methyl 3-[[3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzoyl]amino]benzoate
CID 146293959
2-[4-(3-Cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-1,3,4-oxadiazole
CID 118723494
(S)-2-amino-N-(3-(5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-imidazol-1-yl)benzyl)propanamide
CID 44574375
US10590140, Example 66
CID 132088904
1-Cyclopropyl-3-[3-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea
CID 44548395
[3-[7-(5-Methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea
CID 68169965
3-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]aniline
CID 162721923
N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]phenyl]morpholine-4-carboxamide
CID 162721934

Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4-oxadiazol-2-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline?
The IUPAC name of 3-(1,3,4-oxadiazol-2-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline (CID 66129680) is 3-(1,3,4-oxadiazol-2-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline.
What is the SMILES notation for 3-(1,3,4-oxadiazol-2-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline?
The canonical SMILES for 3-(1,3,4-oxadiazol-2-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline is CC(C)n1cncc1CNc1cccc(-c2nnco2)c1.
What is the InChIKey of 3-(1,3,4-oxadiazol-2-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline?
The InChIKey is DBNQAKVPSKBBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-11(2)20-9-16-7-14(20)8-17-13-5-3-4-12(6-13)15-19-18-10-21-15/h3-7,9-11,17H,8H2,1-2H3.
What are the key properties of 3-(1,3,4-oxadiazol-2-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline?
3-(1,3,4-oxadiazol-2-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline has a molecular weight of 283.34 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4-oxadiazol-2-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline is sourced from PubChem (CID 66129680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).