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

C13H13N5O — CID 55113462

IUPACN-[(1-methyltriazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)aniline
SMILESCn1cc(CNc2ccc(-c3cnco3)cc2)nn1
InChIInChI=1S/C13H13N5O/c1-18-8-12(16-17-18)6-15-11-4-2-10(3-5-11)13-7-14-9-19-13/h2-5,7-9,15H,6H2,1H3
InChIKeyWHYHICNDXZIQFD-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.08
Rot. Bonds4

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

N-[(1-methyltriazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)aniline (PubChem CID 55113462) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is N-[(1-methyltriazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound NameN-[(1-methyltriazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)aniline
PubChem CID55113462
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC NameN-[(1-methyltriazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)aniline
SMILESCn1cc(CNc2ccc(-c3cnco3)cc2)nn1
InChIInChI=1S/C13H13N5O/c1-18-8-12(16-17-18)6-15-11-4-2-10(3-5-11)13-7-14-9-19-13/h2-5,7-9,15H,6H2,1H3
InChIKeyWHYHICNDXZIQFD-UHFFFAOYSA-N
XLogP2.08
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyltriazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)aniline?
The IUPAC name of N-[(1-methyltriazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)aniline (CID 55113462) is N-[(1-methyltriazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)aniline.
What is the SMILES notation for N-[(1-methyltriazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)aniline?
The canonical SMILES for N-[(1-methyltriazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)aniline is Cn1cc(CNc2ccc(-c3cnco3)cc2)nn1.
What is the InChIKey of N-[(1-methyltriazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)aniline?
The InChIKey is WHYHICNDXZIQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-18-8-12(16-17-18)6-15-11-4-2-10(3-5-11)13-7-14-9-19-13/h2-5,7-9,15H,6H2,1H3.
What are the key properties of N-[(1-methyltriazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)aniline?
N-[(1-methyltriazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)aniline has a molecular weight of 255.28 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyltriazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 55113462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).