N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline

C15H16N4O — CID 62351715

IUPACN-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline
SMILESCCn1ccnc1CNc1ccc(-c2cnco2)cc1
InChIInChI=1S/C15H16N4O/c1-2-19-8-7-17-15(19)10-18-13-5-3-12(4-6-13)14-9-16-11-20-14/h3-9,11,18H,2,10H2,1H3
InChIKeyFKLDRSIOASFHKN-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.17
Rot. Bonds5

About N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline

N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline (PubChem CID 62351715) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline
PubChem CID62351715
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline
SMILESCCn1ccnc1CNc1ccc(-c2cnco2)cc1
InChIInChI=1S/C15H16N4O/c1-2-19-8-7-17-15(19)10-18-13-5-3-12(4-6-13)14-9-16-11-20-14/h3-9,11,18H,2,10H2,1H3
InChIKeyFKLDRSIOASFHKN-UHFFFAOYSA-N
XLogP3.17
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-oxazol-5-yl)-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62957900
N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 62352245
N-[(1-ethylimidazol-2-yl)methyl]-4-methylsulfonylaniline
CID 62356891
N-[(5-ethylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 62346531
N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzodioxol-5-amine
CID 62356540
1-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]-3-methylurea
CID 62349759
N-[(1-methyltriazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 55113462
N-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethoxy)aniline
CID 62350814
N-[(1-ethylimidazol-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 62356208
N-ethyl-4-[(1-ethylimidazol-2-yl)methylamino]benzenesulfonamide
CID 62349942
N-[(2,6-dichlorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 60942944
3-chloro-N-[(1-ethylimidazol-2-yl)methyl]-4-methylaniline
CID 62357562

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline (CID 62351715) is N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline is CCn1ccnc1CNc1ccc(-c2cnco2)cc1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline?
The InChIKey is FKLDRSIOASFHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-19-8-7-17-15(19)10-18-13-5-3-12(4-6-13)14-9-16-11-20-14/h3-9,11,18H,2,10H2,1H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline?
N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline has a molecular weight of 268.32 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 62351715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).