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

C16H22ClN5O3 — CID 56901169

IUPAC4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-ethylmorpholine-2-carboxamide
SMILESCCNC(=O)C1CN(Cc2c(-c3cc(C)on3)nn(C)c2Cl)CCO1
InChIInChI=1S/C16H22ClN5O3/c1-4-18-16(23)13-9-22(5-6-24-13)8-11-14(19-21(3)15(11)17)12-7-10(2)25-20-12/h7,13H,4-6,8-9H2,1-3H3,(H,18,23)
InChIKeyHVUKELJYFHOTOE-UHFFFAOYSA-N
MW367.84 g/mol
LogP1.37
Rot. Bonds5

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

4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-ethylmorpholine-2-carboxamide (PubChem CID 56901169) has the molecular formula C16H22ClN5O3 and a molecular weight of 367.84 g/mol. Its IUPAC name is 4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-ethylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-ethylmorpholine-2-carboxamide
PubChem CID56901169
Molecular FormulaC16H22ClN5O3
Molecular Weight367.84 g/mol
Exact Mass367.14
IUPAC Name4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-ethylmorpholine-2-carboxamide
SMILESCCNC(=O)C1CN(Cc2c(-c3cc(C)on3)nn(C)c2Cl)CCO1
InChIInChI=1S/C16H22ClN5O3/c1-4-18-16(23)13-9-22(5-6-24-13)8-11-14(19-21(3)15(11)17)12-7-10(2)25-20-12/h7,13H,4-6,8-9H2,1-3H3,(H,18,23)
InChIKeyHVUKELJYFHOTOE-UHFFFAOYSA-N
XLogP1.37
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-ethylmorpholine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-ethylmorpholine-2-carboxamide?
The IUPAC name of 4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-ethylmorpholine-2-carboxamide (CID 56901169) is 4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-ethylmorpholine-2-carboxamide.
What is the SMILES notation for 4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-ethylmorpholine-2-carboxamide?
The canonical SMILES for 4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-ethylmorpholine-2-carboxamide is CCNC(=O)C1CN(Cc2c(-c3cc(C)on3)nn(C)c2Cl)CCO1.
What is the InChIKey of 4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-ethylmorpholine-2-carboxamide?
The InChIKey is HVUKELJYFHOTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5O3/c1-4-18-16(23)13-9-22(5-6-24-13)8-11-14(19-21(3)15(11)17)12-7-10(2)25-20-12/h7,13H,4-6,8-9H2,1-3H3,(H,18,23).
What are the key properties of 4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-ethylmorpholine-2-carboxamide?
4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-ethylmorpholine-2-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-ethylmorpholine-2-carboxamide is sourced from PubChem (CID 56901169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).