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

C15H17N5O — CID 66134775

IUPAC3-(1,3,4-oxadiazol-2-yl)-N-[(3-propylimidazol-4-yl)methyl]aniline
SMILESCCCn1cncc1CNc1cccc(-c2nnco2)c1
InChIInChI=1S/C15H17N5O/c1-2-6-20-10-16-8-14(20)9-17-13-5-3-4-12(7-13)15-19-18-11-21-15/h3-5,7-8,10-11,17H,2,6,9H2,1H3
InChIKeyHEZSCNHJRICOSK-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.96
Rot. Bonds6

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

3-(1,3,4-oxadiazol-2-yl)-N-[(3-propylimidazol-4-yl)methyl]aniline (PubChem CID 66134775) 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-propylimidazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name3-(1,3,4-oxadiazol-2-yl)-N-[(3-propylimidazol-4-yl)methyl]aniline
PubChem CID66134775
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name3-(1,3,4-oxadiazol-2-yl)-N-[(3-propylimidazol-4-yl)methyl]aniline
SMILESCCCn1cncc1CNc1cccc(-c2nnco2)c1
InChIInChI=1S/C15H17N5O/c1-2-6-20-10-16-8-14(20)9-17-13-5-3-4-12(7-13)15-19-18-11-21-15/h3-5,7-8,10-11,17H,2,6,9H2,1H3
InChIKeyHEZSCNHJRICOSK-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-[(3-ethylimidazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 66133774
3-(1,3,4-oxadiazol-2-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 66129680
3-(1,3,4-oxadiazol-2-yl)-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62955245
3-methylsulfanyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134358
3-[(3-propylimidazol-4-yl)methylamino]phenol
CID 66134782
N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline
CID 66134835
N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 66133997
3-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132525
N-[(1-ethylimidazol-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 62356208
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
3-(1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)aniline
CID 28713579

Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4-oxadiazol-2-yl)-N-[(3-propylimidazol-4-yl)methyl]aniline?
The IUPAC name of 3-(1,3,4-oxadiazol-2-yl)-N-[(3-propylimidazol-4-yl)methyl]aniline (CID 66134775) is 3-(1,3,4-oxadiazol-2-yl)-N-[(3-propylimidazol-4-yl)methyl]aniline.
What is the SMILES notation for 3-(1,3,4-oxadiazol-2-yl)-N-[(3-propylimidazol-4-yl)methyl]aniline?
The canonical SMILES for 3-(1,3,4-oxadiazol-2-yl)-N-[(3-propylimidazol-4-yl)methyl]aniline is CCCn1cncc1CNc1cccc(-c2nnco2)c1.
What is the InChIKey of 3-(1,3,4-oxadiazol-2-yl)-N-[(3-propylimidazol-4-yl)methyl]aniline?
The InChIKey is HEZSCNHJRICOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-2-6-20-10-16-8-14(20)9-17-13-5-3-4-12(7-13)15-19-18-11-21-15/h3-5,7-8,10-11,17H,2,6,9H2,1H3.
What are the key properties of 3-(1,3,4-oxadiazol-2-yl)-N-[(3-propylimidazol-4-yl)methyl]aniline?
3-(1,3,4-oxadiazol-2-yl)-N-[(3-propylimidazol-4-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-[(3-propylimidazol-4-yl)methyl]aniline is sourced from PubChem (CID 66134775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).