N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-5-ethyl-1,3-oxazole-4-carboxamide

C16H19ClN4O2 — CID 74548344

IUPACN-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-5-ethyl-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)NCC1CNNC1c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN4O2/c1-2-13-15(19-9-23-13)16(22)18-7-11-8-20-21-14(11)10-3-5-12(17)6-4-10/h3-6,9,11,14,20-21H,2,7-8H2,1H3,(H,18,22)
InChIKeyASTIMQGLHWSIBE-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.09
Rot. Bonds5

About N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-5-ethyl-1,3-oxazole-4-carboxamide

N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-5-ethyl-1,3-oxazole-4-carboxamide (PubChem CID 74548344) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-5-ethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-5-ethyl-1,3-oxazole-4-carboxamide
PubChem CID74548344
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC NameN-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-5-ethyl-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)NCC1CNNC1c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN4O2/c1-2-13-15(19-9-23-13)16(22)18-7-11-8-20-21-14(11)10-3-5-12(17)6-4-10/h3-6,9,11,14,20-21H,2,7-8H2,1H3,(H,18,22)
InChIKeyASTIMQGLHWSIBE-UHFFFAOYSA-N
XLogP2.09
TPSA79.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-5-ethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-5-ethyl-1,3-oxazole-4-carboxamide (CID 74548344) is N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-5-ethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-5-ethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-5-ethyl-1,3-oxazole-4-carboxamide is CCc1ocnc1C(=O)NCC1CNNC1c1ccc(Cl)cc1.
What is the InChIKey of N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-5-ethyl-1,3-oxazole-4-carboxamide?
The InChIKey is ASTIMQGLHWSIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-2-13-15(19-9-23-13)16(22)18-7-11-8-20-21-14(11)10-3-5-12(17)6-4-10/h3-6,9,11,14,20-21H,2,7-8H2,1H3,(H,18,22).
What are the key properties of N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-5-ethyl-1,3-oxazole-4-carboxamide?
N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-5-ethyl-1,3-oxazole-4-carboxamide has a molecular weight of 334.81 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-5-ethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 74548344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).