N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-imidazol-1-ylaniline

C15H16N4O — CID 43673562

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-imidazol-1-ylaniline
SMILESCc1noc(C)c1CNc1ccccc1-n1ccnc1
InChIInChI=1S/C15H16N4O/c1-11-13(12(2)20-18-11)9-17-14-5-3-4-6-15(14)19-8-7-16-10-19/h3-8,10,17H,9H2,1-2H3
InChIKeyKNRMIRRXODZVFD-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.09
Rot. Bonds4

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-imidazol-1-ylaniline

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-imidazol-1-ylaniline (PubChem CID 43673562) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-imidazol-1-ylaniline.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-imidazol-1-ylaniline
PubChem CID43673562
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-imidazol-1-ylaniline
SMILESCc1noc(C)c1CNc1ccccc1-n1ccnc1
InChIInChI=1S/C15H16N4O/c1-11-13(12(2)20-18-11)9-17-14-5-3-4-6-15(14)19-8-7-16-10-19/h3-8,10,17H,9H2,1-2H3
InChIKeyKNRMIRRXODZVFD-UHFFFAOYSA-N
XLogP3.09
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethylphenyl)methyl]-2-imidazol-1-ylaniline
CID 62392271
2-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]aniline
CID 43673464
N-(2-ethylbutyl)-2-imidazol-1-ylaniline
CID 43673499
N-[(3,5-dichlorophenyl)methyl]-2-imidazol-1-ylaniline
CID 60789771
2-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline
CID 62763592
N-[(1-ethylimidazol-2-yl)methyl]-2-imidazol-1-ylaniline
CID 62355714
3-[(2-imidazol-1-ylanilino)methyl]benzene-1,2-diol
CID 61320323
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylpyridin-3-amine
CID 63329724
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-4-amine
CID 78954722
2-imidazol-1-yl-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 103347464
3-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylbenzene-1,3-diamine
CID 79236204
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676491

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-imidazol-1-ylaniline?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-imidazol-1-ylaniline (CID 43673562) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-imidazol-1-ylaniline.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-imidazol-1-ylaniline?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-imidazol-1-ylaniline is Cc1noc(C)c1CNc1ccccc1-n1ccnc1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-imidazol-1-ylaniline?
The InChIKey is KNRMIRRXODZVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-11-13(12(2)20-18-11)9-17-14-5-3-4-6-15(14)19-8-7-16-10-19/h3-8,10,17H,9H2,1-2H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-imidazol-1-ylaniline?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-imidazol-1-ylaniline has a molecular weight of 268.32 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-imidazol-1-ylaniline is sourced from PubChem (CID 43673562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).