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

C15H16N4O — CID 43704900

IUPAC4-(2-methyl-1,3-oxazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]aniline
SMILESCc1nc(-c2ccc(NCc3ccnn3C)cc2)co1
InChIInChI=1S/C15H16N4O/c1-11-18-15(10-20-11)12-3-5-13(6-4-12)16-9-14-7-8-17-19(14)2/h3-8,10,16H,9H2,1-2H3
InChIKeyAGLYDEGALWXNBG-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.00
Rot. Bonds4

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

4-(2-methyl-1,3-oxazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]aniline (PubChem CID 43704900) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-(2-methyl-1,3-oxazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name4-(2-methyl-1,3-oxazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]aniline
PubChem CID43704900
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name4-(2-methyl-1,3-oxazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]aniline
SMILESCc1nc(-c2ccc(NCc3ccnn3C)cc2)co1
InChIInChI=1S/C15H16N4O/c1-11-18-15(10-20-11)12-3-5-13(6-4-12)16-9-14-7-8-17-19(14)2/h3-8,10,16H,9H2,1-2H3
InChIKeyAGLYDEGALWXNBG-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)aniline
CID 43704774
4-(2-methyl-1,3-oxazol-4-yl)-N-propylaniline
CID 43704914
N-[(5-ethylfuran-2-yl)methyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline
CID 62346872
N-[(2-methylpyrazol-3-yl)methyl]pyridin-4-amine
CID 63302069
N-[(5-chlorothiophen-2-yl)methyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline
CID 43704692
4-(2-methyl-1,3-oxazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 43704898
3,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 19619241
2-bromo-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide
CID 114327857
2-methoxy-N-[4-[(2-methylpyrazol-3-yl)methylamino]phenyl]acetamide
CID 43717460
1-methyl-5-[(2-methylpyrazol-3-yl)methylamino]pyridin-2-one
CID 60930659
2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine
CID 43682709
N-cyclopropyl-4-(2-methyl-1,3-oxazol-4-yl)aniline
CID 103438995

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]aniline?
The IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]aniline (CID 43704900) is 4-(2-methyl-1,3-oxazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]aniline.
What is the SMILES notation for 4-(2-methyl-1,3-oxazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]aniline?
The canonical SMILES for 4-(2-methyl-1,3-oxazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]aniline is Cc1nc(-c2ccc(NCc3ccnn3C)cc2)co1.
What is the InChIKey of 4-(2-methyl-1,3-oxazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]aniline?
The InChIKey is AGLYDEGALWXNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-11-18-15(10-20-11)12-3-5-13(6-4-12)16-9-14-7-8-17-19(14)2/h3-8,10,16H,9H2,1-2H3.
What are the key properties of 4-(2-methyl-1,3-oxazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]aniline?
4-(2-methyl-1,3-oxazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]aniline has a molecular weight of 268.32 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-oxazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]aniline is sourced from PubChem (CID 43704900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).