3-(1,3-oxazol-5-yl)-N-[(1-propylimidazol-2-yl)methyl]aniline

C16H18N4O — CID 62957900

IUPAC3-(1,3-oxazol-5-yl)-N-[(1-propylimidazol-2-yl)methyl]aniline
SMILESCCCn1ccnc1CNc1cccc(-c2cnco2)c1
InChIInChI=1S/C16H18N4O/c1-2-7-20-8-6-18-16(20)11-19-14-5-3-4-13(9-14)15-10-17-12-21-15/h3-6,8-10,12,19H,2,7,11H2,1H3
InChIKeyKDRWCKSDUUDYBM-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.56
Rot. Bonds6

About 3-(1,3-oxazol-5-yl)-N-[(1-propylimidazol-2-yl)methyl]aniline

3-(1,3-oxazol-5-yl)-N-[(1-propylimidazol-2-yl)methyl]aniline (PubChem CID 62957900) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-(1,3-oxazol-5-yl)-N-[(1-propylimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name3-(1,3-oxazol-5-yl)-N-[(1-propylimidazol-2-yl)methyl]aniline
PubChem CID62957900
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name3-(1,3-oxazol-5-yl)-N-[(1-propylimidazol-2-yl)methyl]aniline
SMILESCCCn1ccnc1CNc1cccc(-c2cnco2)c1
InChIInChI=1S/C16H18N4O/c1-2-7-20-8-6-18-16(20)11-19-14-5-3-4-13(9-14)15-10-17-12-21-15/h3-6,8-10,12,19H,2,7,11H2,1H3
InChIKeyKDRWCKSDUUDYBM-UHFFFAOYSA-N
XLogP3.56
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3,4-oxadiazol-2-yl)-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62955245
N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 62351715
N-[(1-ethylimidazol-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 62356208
N-[(3-methylimidazol-4-yl)methyl]-3-(1,3-oxazol-5-yl)aniline
CID 66117073
3-(2-methoxyethoxy)-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62957381
3-[[3-(1,3-oxazol-5-yl)anilino]methyl]benzene-1,2-diol
CID 61319717
3-fluoro-4-methyl-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62957177
2,6-dibromo-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 107597049
N-[(5-bromothiophen-2-yl)methyl]-3-(1,3-oxazol-5-yl)aniline
CID 54865173
4-[(1-propylimidazol-2-yl)methylamino]benzene-1,2-dicarbonitrile
CID 107788244
N-[(1-propylimidazol-2-yl)methyl]-4-pyrazol-1-ylaniline
CID 62957014
6-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]pyridin-3-amine
CID 62957017

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-oxazol-5-yl)-N-[(1-propylimidazol-2-yl)methyl]aniline?
The IUPAC name of 3-(1,3-oxazol-5-yl)-N-[(1-propylimidazol-2-yl)methyl]aniline (CID 62957900) is 3-(1,3-oxazol-5-yl)-N-[(1-propylimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 3-(1,3-oxazol-5-yl)-N-[(1-propylimidazol-2-yl)methyl]aniline?
The canonical SMILES for 3-(1,3-oxazol-5-yl)-N-[(1-propylimidazol-2-yl)methyl]aniline is CCCn1ccnc1CNc1cccc(-c2cnco2)c1.
What is the InChIKey of 3-(1,3-oxazol-5-yl)-N-[(1-propylimidazol-2-yl)methyl]aniline?
The InChIKey is KDRWCKSDUUDYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-2-7-20-8-6-18-16(20)11-19-14-5-3-4-13(9-14)15-10-17-12-21-15/h3-6,8-10,12,19H,2,7,11H2,1H3.
What are the key properties of 3-(1,3-oxazol-5-yl)-N-[(1-propylimidazol-2-yl)methyl]aniline?
3-(1,3-oxazol-5-yl)-N-[(1-propylimidazol-2-yl)methyl]aniline has a molecular weight of 282.35 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-oxazol-5-yl)-N-[(1-propylimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 62957900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).