4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]morpholine-2-carboxylic acid

C14H17ClN4O4 — CID 56909498

IUPAC4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]morpholine-2-carboxylic acid
SMILESCc1cc(-c2nn(C)c(Cl)c2CN2CCOC(C(=O)O)C2)no1
InChIInChI=1S/C14H17ClN4O4/c1-8-5-10(17-23-8)12-9(13(15)18(2)16-12)6-19-3-4-22-11(7-19)14(20)21/h5,11H,3-4,6-7H2,1-2H3,(H,20,21)
InChIKeyDDQFNFUFADTYJH-UHFFFAOYSA-N
MW340.77 g/mol
LogP1.32
Rot. Bonds4

About 4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]morpholine-2-carboxylic acid

4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]morpholine-2-carboxylic acid (PubChem CID 56909498) has the molecular formula C14H17ClN4O4 and a molecular weight of 340.77 g/mol. Its IUPAC name is 4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]morpholine-2-carboxylic acid
PubChem CID56909498
Molecular FormulaC14H17ClN4O4
Molecular Weight340.77 g/mol
Exact Mass340.09
IUPAC Name4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]morpholine-2-carboxylic acid
SMILESCc1cc(-c2nn(C)c(Cl)c2CN2CCOC(C(=O)O)C2)no1
InChIInChI=1S/C14H17ClN4O4/c1-8-5-10(17-23-8)12-9(13(15)18(2)16-12)6-19-3-4-22-11(7-19)14(20)21/h5,11H,3-4,6-7H2,1-2H3,(H,20,21)
InChIKeyDDQFNFUFADTYJH-UHFFFAOYSA-N
XLogP1.32
TPSA93.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]morpholine-2-carboxylic acid?
The IUPAC name of 4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]morpholine-2-carboxylic acid (CID 56909498) is 4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]morpholine-2-carboxylic acid is Cc1cc(-c2nn(C)c(Cl)c2CN2CCOC(C(=O)O)C2)no1.
What is the InChIKey of 4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]morpholine-2-carboxylic acid?
The InChIKey is DDQFNFUFADTYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O4/c1-8-5-10(17-23-8)12-9(13(15)18(2)16-12)6-19-3-4-22-11(7-19)14(20)21/h5,11H,3-4,6-7H2,1-2H3,(H,20,21).
What are the key properties of 4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]morpholine-2-carboxylic acid?
4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]morpholine-2-carboxylic acid has a molecular weight of 340.77 g/mol, XLogP of 1.32, 4 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]morpholine-2-carboxylic acid is sourced from PubChem (CID 56909498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).