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

C16H15ClN4O2 — CID 57422308

IUPAC3-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide
SMILESCc1noc(C)c1Cn1cc(NC(=O)c2cccc(Cl)c2)cn1
InChIInChI=1S/C16H15ClN4O2/c1-10-15(11(2)23-20-10)9-21-8-14(7-18-21)19-16(22)12-4-3-5-13(17)6-12/h3-8H,9H2,1-2H3,(H,19,22)
InChIKeyWRTPRYOTMVQLCP-UHFFFAOYSA-N
MW330.78 g/mol
LogP3.44
Rot. Bonds4

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

3-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide (PubChem CID 57422308) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is 3-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide
PubChem CID57422308
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC Name3-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide
SMILESCc1noc(C)c1Cn1cc(NC(=O)c2cccc(Cl)c2)cn1
InChIInChI=1S/C16H15ClN4O2/c1-10-15(11(2)23-20-10)9-21-8-14(7-18-21)19-16(22)12-4-3-5-13(17)6-12/h3-8H,9H2,1-2H3,(H,19,22)
InChIKeyWRTPRYOTMVQLCP-UHFFFAOYSA-N
XLogP3.44
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 3-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide (CID 57422308) is 3-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 3-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide is Cc1noc(C)c1Cn1cc(NC(=O)c2cccc(Cl)c2)cn1.
What is the InChIKey of 3-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide?
The InChIKey is WRTPRYOTMVQLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2/c1-10-15(11(2)23-20-10)9-21-8-14(7-18-21)19-16(22)12-4-3-5-13(17)6-12/h3-8H,9H2,1-2H3,(H,19,22).
What are the key properties of 3-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide?
3-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide has a molecular weight of 330.78 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 57422308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).