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

C14H14N4O — CID 66117073

IUPACN-[(3-methylimidazol-4-yl)methyl]-3-(1,3-oxazol-5-yl)aniline
SMILESCn1cncc1CNc1cccc(-c2cnco2)c1
InChIInChI=1S/C14H14N4O/c1-18-9-15-6-13(18)7-17-12-4-2-3-11(5-12)14-8-16-10-19-14/h2-6,8-10,17H,7H2,1H3
InChIKeyQYRADCYSSLZLPS-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.69
Rot. Bonds4

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

N-[(3-methylimidazol-4-yl)methyl]-3-(1,3-oxazol-5-yl)aniline (PubChem CID 66117073) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[(3-methylimidazol-4-yl)methyl]-3-(1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound NameN-[(3-methylimidazol-4-yl)methyl]-3-(1,3-oxazol-5-yl)aniline
PubChem CID66117073
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC NameN-[(3-methylimidazol-4-yl)methyl]-3-(1,3-oxazol-5-yl)aniline
SMILESCn1cncc1CNc1cccc(-c2cnco2)c1
InChIInChI=1S/C14H14N4O/c1-18-9-15-6-13(18)7-17-12-4-2-3-11(5-12)14-8-16-10-19-14/h2-6,8-10,17H,7H2,1H3
InChIKeyQYRADCYSSLZLPS-UHFFFAOYSA-N
XLogP2.69
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[(3-methylimidazol-4-yl)methyl]aniline;dihydrochloride
CID 154829073
3-[[3-(1,3-oxazol-5-yl)anilino]methyl]benzene-1,2-diol
CID 61319717
N-[(5-bromothiophen-2-yl)methyl]-3-(1,3-oxazol-5-yl)aniline
CID 54865173
3-(1,3-oxazol-5-yl)-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62957900
N-hexyl-3-(1,3-oxazol-5-yl)aniline
CID 54865068
6-methyl-2-[[3-(1,3-oxazol-5-yl)anilino]methyl]pyridin-3-ol
CID 79157325
3-(1,3,4-oxadiazol-2-yl)-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134775
N-[(3-ethylimidazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 66133774
N-(2,6-dimethylheptan-4-yl)-3-(1,3-oxazol-5-yl)aniline
CID 63453530
N-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 66116369
N-(5-methylhexan-2-yl)-3-(1,3-oxazol-5-yl)aniline
CID 54865172
2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide
CID 47265687

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-3-(1,3-oxazol-5-yl)aniline?
The IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-3-(1,3-oxazol-5-yl)aniline (CID 66117073) is N-[(3-methylimidazol-4-yl)methyl]-3-(1,3-oxazol-5-yl)aniline.
What is the SMILES notation for N-[(3-methylimidazol-4-yl)methyl]-3-(1,3-oxazol-5-yl)aniline?
The canonical SMILES for N-[(3-methylimidazol-4-yl)methyl]-3-(1,3-oxazol-5-yl)aniline is Cn1cncc1CNc1cccc(-c2cnco2)c1.
What is the InChIKey of N-[(3-methylimidazol-4-yl)methyl]-3-(1,3-oxazol-5-yl)aniline?
The InChIKey is QYRADCYSSLZLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-18-9-15-6-13(18)7-17-12-4-2-3-11(5-12)14-8-16-10-19-14/h2-6,8-10,17H,7H2,1H3.
What are the key properties of N-[(3-methylimidazol-4-yl)methyl]-3-(1,3-oxazol-5-yl)aniline?
N-[(3-methylimidazol-4-yl)methyl]-3-(1,3-oxazol-5-yl)aniline has a molecular weight of 254.29 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylimidazol-4-yl)methyl]-3-(1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 66117073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).