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

C15H17N5O — CID 62955245

IUPAC3-(1,3,4-oxadiazol-2-yl)-N-[(1-propylimidazol-2-yl)methyl]aniline
SMILESCCCn1ccnc1CNc1cccc(-c2nnco2)c1
InChIInChI=1S/C15H17N5O/c1-2-7-20-8-6-16-14(20)10-17-13-5-3-4-12(9-13)15-19-18-11-21-15/h3-6,8-9,11,17H,2,7,10H2,1H3
InChIKeyRIYDUDPEVYSIBT-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.96
Rot. Bonds6

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

3-(1,3,4-oxadiazol-2-yl)-N-[(1-propylimidazol-2-yl)methyl]aniline (PubChem CID 62955245) 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-[(1-propylimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name3-(1,3,4-oxadiazol-2-yl)-N-[(1-propylimidazol-2-yl)methyl]aniline
PubChem CID62955245
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name3-(1,3,4-oxadiazol-2-yl)-N-[(1-propylimidazol-2-yl)methyl]aniline
SMILESCCCn1ccnc1CNc1cccc(-c2nnco2)c1
InChIInChI=1S/C15H17N5O/c1-2-7-20-8-6-16-14(20)10-17-13-5-3-4-12(9-13)15-19-18-11-21-15/h3-6,8-9,11,17H,2,7,10H2,1H3
InChIKeyRIYDUDPEVYSIBT-UHFFFAOYSA-N
XLogP2.96
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethylimidazol-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 62356208
3-(1,3-oxazol-5-yl)-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62957900
3-(1,3,4-oxadiazol-2-yl)-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134775
N-[(1-methylpyrrol-3-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 66397871
N-[(3-ethylimidazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 66133774
3-(2-methoxyethoxy)-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62957381
4-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]benzonitrile
CID 28713696
3-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)aniline
CID 43662478
3-(1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)aniline
CID 28713579
N-[(3-methylthiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 28713589
N'-tert-butyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]ethane-1,2-diamine
CID 107444720
3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]aniline
CID 62356031

Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4-oxadiazol-2-yl)-N-[(1-propylimidazol-2-yl)methyl]aniline?
The IUPAC name of 3-(1,3,4-oxadiazol-2-yl)-N-[(1-propylimidazol-2-yl)methyl]aniline (CID 62955245) is 3-(1,3,4-oxadiazol-2-yl)-N-[(1-propylimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 3-(1,3,4-oxadiazol-2-yl)-N-[(1-propylimidazol-2-yl)methyl]aniline?
The canonical SMILES for 3-(1,3,4-oxadiazol-2-yl)-N-[(1-propylimidazol-2-yl)methyl]aniline is CCCn1ccnc1CNc1cccc(-c2nnco2)c1.
What is the InChIKey of 3-(1,3,4-oxadiazol-2-yl)-N-[(1-propylimidazol-2-yl)methyl]aniline?
The InChIKey is RIYDUDPEVYSIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-2-7-20-8-6-16-14(20)10-17-13-5-3-4-12(9-13)15-19-18-11-21-15/h3-6,8-9,11,17H,2,7,10H2,1H3.
What are the key properties of 3-(1,3,4-oxadiazol-2-yl)-N-[(1-propylimidazol-2-yl)methyl]aniline?
3-(1,3,4-oxadiazol-2-yl)-N-[(1-propylimidazol-2-yl)methyl]aniline has a molecular weight of 283.34 g/mol, XLogP of 2.96, 6 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-[(1-propylimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 62955245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).