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

C17H18N4O2 — CID 57422266

IUPACN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide
SMILESCc1noc(C)c1Cn1cc(NC(=O)Cc2ccccc2)cn1
InChIInChI=1S/C17H18N4O2/c1-12-16(13(2)23-20-12)11-21-10-15(9-18-21)19-17(22)8-14-6-4-3-5-7-14/h3-7,9-10H,8,11H2,1-2H3,(H,19,22)
InChIKeyVNWOEVYYILNNAE-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.72
Rot. Bonds5

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

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide (PubChem CID 57422266) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide
PubChem CID57422266
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide
SMILESCc1noc(C)c1Cn1cc(NC(=O)Cc2ccccc2)cn1
InChIInChI=1S/C17H18N4O2/c1-12-16(13(2)23-20-12)11-21-10-15(9-18-21)19-17(22)8-14-6-4-3-5-7-14/h3-7,9-10H,8,11H2,1-2H3,(H,19,22)
InChIKeyVNWOEVYYILNNAE-UHFFFAOYSA-N
XLogP2.72
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide?
The IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide (CID 57422266) is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide.
What is the SMILES notation for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide?
The canonical SMILES for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide is Cc1noc(C)c1Cn1cc(NC(=O)Cc2ccccc2)cn1.
What is the InChIKey of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide?
The InChIKey is VNWOEVYYILNNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12-16(13(2)23-20-12)11-21-10-15(9-18-21)19-17(22)8-14-6-4-3-5-7-14/h3-7,9-10H,8,11H2,1-2H3,(H,19,22).
What are the key properties of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide?
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide has a molecular weight of 310.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide is sourced from PubChem (CID 57422266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).