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

C15H15ClN4O — CID 60942798

IUPAC5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-pyrazol-1-ylaniline
SMILESCc1noc(C)c1CNc1cc(Cl)ccc1-n1cccn1
InChIInChI=1S/C15H15ClN4O/c1-10-13(11(2)21-19-10)9-17-14-8-12(16)4-5-15(14)20-7-3-6-18-20/h3-8,17H,9H2,1-2H3
InChIKeyOGQAEZVNZZJHGY-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.74
Rot. Bonds4

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

5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-pyrazol-1-ylaniline (PubChem CID 60942798) has the molecular formula C15H15ClN4O and a molecular weight of 302.76 g/mol. Its IUPAC name is 5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-pyrazol-1-ylaniline.

Molecular Properties

Compound Name5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-pyrazol-1-ylaniline
PubChem CID60942798
Molecular FormulaC15H15ClN4O
Molecular Weight302.76 g/mol
Exact Mass302.09
IUPAC Name5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-pyrazol-1-ylaniline
SMILESCc1noc(C)c1CNc1cc(Cl)ccc1-n1cccn1
InChIInChI=1S/C15H15ClN4O/c1-10-13(11(2)21-19-10)9-17-14-8-12(16)4-5-15(14)20-7-3-6-18-20/h3-8,17H,9H2,1-2H3
InChIKeyOGQAEZVNZZJHGY-UHFFFAOYSA-N
XLogP3.74
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(3-methylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 51890254
5-chloro-N-(oxan-4-ylmethyl)-2-pyrazol-1-ylaniline
CID 62386523
ethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate
CID 61062622
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-imidazol-1-ylaniline
CID 43673562
N-(2-acetylphenyl)-2-(5-chloro-2-pyrazol-1-ylanilino)acetamide
CID 55919271
5-chloro-N-(5-methylhexan-2-yl)-2-pyrazol-1-ylaniline
CID 63449572
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine
CID 75442926
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-amine
CID 78974618
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylaniline
CID 28780736
7-[(5-chloro-2-pyrazol-1-ylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 47064214
4-bromo-2,3-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline
CID 113429964
N-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-fluorophenyl]acetamide
CID 34067729

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-pyrazol-1-ylaniline?
The IUPAC name of 5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-pyrazol-1-ylaniline (CID 60942798) is 5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-pyrazol-1-ylaniline.
What is the SMILES notation for 5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-pyrazol-1-ylaniline?
The canonical SMILES for 5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-pyrazol-1-ylaniline is Cc1noc(C)c1CNc1cc(Cl)ccc1-n1cccn1.
What is the InChIKey of 5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-pyrazol-1-ylaniline?
The InChIKey is OGQAEZVNZZJHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-10-13(11(2)21-19-10)9-17-14-8-12(16)4-5-15(14)20-7-3-6-18-20/h3-8,17H,9H2,1-2H3.
What are the key properties of 5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-pyrazol-1-ylaniline?
5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-pyrazol-1-ylaniline has a molecular weight of 302.76 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-pyrazol-1-ylaniline is sourced from PubChem (CID 60942798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).