2-(4-chloro-3-methylpyrazol-1-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide

C16H16ClN5O2 — CID 72888940

IUPAC2-(4-chloro-3-methylpyrazol-1-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCc1nn(CC(=O)N(C)Cc2cc(-c3ccncc3)no2)cc1Cl
InChIInChI=1S/C16H16ClN5O2/c1-11-14(17)9-22(19-11)10-16(23)21(2)8-13-7-15(20-24-13)12-3-5-18-6-4-12/h3-7,9H,8,10H2,1-2H3
InChIKeyWRJJNLZQTOONBG-UHFFFAOYSA-N
MW345.79 g/mol
LogP2.55
Rot. Bonds5

About 2-(4-chloro-3-methylpyrazol-1-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide

2-(4-chloro-3-methylpyrazol-1-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide (PubChem CID 72888940) has the molecular formula C16H16ClN5O2 and a molecular weight of 345.79 g/mol. Its IUPAC name is 2-(4-chloro-3-methylpyrazol-1-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylpyrazol-1-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide
PubChem CID72888940
Molecular FormulaC16H16ClN5O2
Molecular Weight345.79 g/mol
Exact Mass345.10
IUPAC Name2-(4-chloro-3-methylpyrazol-1-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCc1nn(CC(=O)N(C)Cc2cc(-c3ccncc3)no2)cc1Cl
InChIInChI=1S/C16H16ClN5O2/c1-11-14(17)9-22(19-11)10-16(23)21(2)8-13-7-15(20-24-13)12-3-5-18-6-4-12/h3-7,9H,8,10H2,1-2H3
InChIKeyWRJJNLZQTOONBG-UHFFFAOYSA-N
XLogP2.55
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide (CID 72888940) is 2-(4-chloro-3-methylpyrazol-1-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylpyrazol-1-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylpyrazol-1-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide is Cc1nn(CC(=O)N(C)Cc2cc(-c3ccncc3)no2)cc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylpyrazol-1-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide?
The InChIKey is WRJJNLZQTOONBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O2/c1-11-14(17)9-22(19-11)10-16(23)21(2)8-13-7-15(20-24-13)12-3-5-18-6-4-12/h3-7,9H,8,10H2,1-2H3.
What are the key properties of 2-(4-chloro-3-methylpyrazol-1-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide?
2-(4-chloro-3-methylpyrazol-1-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide has a molecular weight of 345.79 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylpyrazol-1-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide is sourced from PubChem (CID 72888940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).