3-(3-chloro-4-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid

C14H13ClN2O4 — CID 117493548

IUPAC3-(3-chloro-4-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(N3CCOCC3)c(Cl)c2)no1
InChIInChI=1S/C14H13ClN2O4/c15-10-7-9(11-8-13(14(18)19)21-16-11)1-2-12(10)17-3-5-20-6-4-17/h1-2,7-8H,3-6H2,(H,18,19)
InChIKeySGSNXPJHKSDNBN-UHFFFAOYSA-N
MW308.72 g/mol
LogP2.53
Rot. Bonds3

About 3-(3-chloro-4-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid

3-(3-chloro-4-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 117493548) has the molecular formula C14H13ClN2O4 and a molecular weight of 308.72 g/mol. Its IUPAC name is 3-(3-chloro-4-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-chloro-4-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid
PubChem CID117493548
Molecular FormulaC14H13ClN2O4
Molecular Weight308.72 g/mol
Exact Mass308.06
IUPAC Name3-(3-chloro-4-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(N3CCOCC3)c(Cl)c2)no1
InChIInChI=1S/C14H13ClN2O4/c15-10-7-9(11-8-13(14(18)19)21-16-11)1-2-12(10)17-3-5-20-6-4-17/h1-2,7-8H,3-6H2,(H,18,19)
InChIKeySGSNXPJHKSDNBN-UHFFFAOYSA-N
XLogP2.53
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chloro-4-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117492632
3-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117465659
3-[3-chloro-4-(oxan-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117492610
3-(4-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxamide
CID 68864303
3-(4,5-difluoro-2-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid
CID 115112637
3-[3-chloro-4-(methoxymethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117422508
2-fluoro-4-[5-(3-methyl-4-morpholin-4-ylphenyl)-1,2-oxazol-3-yl]benzoic acid
CID 142703560
3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,2-oxazole-5-carboxylic acid
CID 55035014
3-(3,4-difluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 29078560
3-[4-(oxetan-3-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117401338
3-[3-chloro-4-(2-methylprop-2-enoxy)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117473795
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 55645598

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(3-chloro-4-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid (CID 117493548) is 3-(3-chloro-4-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-chloro-4-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(3-chloro-4-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(-c2ccc(N3CCOCC3)c(Cl)c2)no1.
What is the InChIKey of 3-(3-chloro-4-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is SGSNXPJHKSDNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4/c15-10-7-9(11-8-13(14(18)19)21-16-11)1-2-12(10)17-3-5-20-6-4-17/h1-2,7-8H,3-6H2,(H,18,19).
What are the key properties of 3-(3-chloro-4-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid?
3-(3-chloro-4-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 308.72 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117493548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).