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

C16H15ClN4O2 — CID 56826461

IUPAC2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCn1cc(CNC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)cn1
InChIInChI=1S/C16H15ClN4O2/c1-21-9-11(8-19-21)7-18-15(22)6-14-10-23-16(20-14)12-2-4-13(17)5-3-12/h2-5,8-10H,6-7H2,1H3,(H,18,22)
InChIKeyRLRSMPQGLFXWBD-UHFFFAOYSA-N
MW330.78 g/mol
LogP2.59
Rot. Bonds5

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

2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide (PubChem CID 56826461) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
PubChem CID56826461
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC Name2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCn1cc(CNC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)cn1
InChIInChI=1S/C16H15ClN4O2/c1-21-9-11(8-19-21)7-18-15(22)6-14-10-23-16(20-14)12-2-4-13(17)5-3-12/h2-5,8-10H,6-7H2,1H3,(H,18,22)
InChIKeyRLRSMPQGLFXWBD-UHFFFAOYSA-N
XLogP2.59
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylpropanoic acid
CID 84588911
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)acetamide
CID 167798158
2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 55119886
N-[(5-chloro-2-pyridinyl)methyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 158503970
N-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 35524940
2-(4-chlorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide
CID 122131776
5-chloro-2-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 55051270
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 82547707
2-(4-chlorobenzoyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292438
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-methylpentanoic acid
CID 119212020
1-[(2S,3S)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 97128571

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide (CID 56826461) is 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide is Cn1cc(CNC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)cn1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The InChIKey is RLRSMPQGLFXWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2/c1-21-9-11(8-19-21)7-18-15(22)6-14-10-23-16(20-14)12-2-4-13(17)5-3-12/h2-5,8-10H,6-7H2,1H3,(H,18,22).
What are the key properties of 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide has a molecular weight of 330.78 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 56826461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).