3-(2-cyclopropylmorpholin-4-yl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid

C18H20N2O5 — CID 135088728

IUPAC3-(2-cyclopropylmorpholin-4-yl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
SMILESCOc1ccc(-c2onc(N3CCOC(C4CC4)C3)c2C(=O)O)cc1
InChIInChI=1S/C18H20N2O5/c1-23-13-6-4-12(5-7-13)16-15(18(21)22)17(19-25-16)20-8-9-24-14(10-20)11-2-3-11/h4-7,11,14H,2-3,8-10H2,1H3,(H,21,22)
InChIKeyQTAGCPSTDMUEBN-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.66
Rot. Bonds5

About 3-(2-cyclopropylmorpholin-4-yl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid

3-(2-cyclopropylmorpholin-4-yl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid (PubChem CID 135088728) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 3-(2-cyclopropylmorpholin-4-yl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-cyclopropylmorpholin-4-yl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
PubChem CID135088728
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name3-(2-cyclopropylmorpholin-4-yl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
SMILESCOc1ccc(-c2onc(N3CCOC(C4CC4)C3)c2C(=O)O)cc1
InChIInChI=1S/C18H20N2O5/c1-23-13-6-4-12(5-7-13)16-15(18(21)22)17(19-25-16)20-8-9-24-14(10-20)11-2-3-11/h4-7,11,14H,2-3,8-10H2,1H3,(H,21,22)
InChIKeyQTAGCPSTDMUEBN-UHFFFAOYSA-N
XLogP2.66
TPSA85.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxylic acid
CID 139598398
5-(4-methoxyphenyl)-3-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1,2-oxazole-4-carboxylic acid
CID 163309584
3-[(3aS,7aR)-3a-(hydroxymethyl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-2-yl]-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 164693245
3-[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid;formic acid
CID 154916587
[(3S)-3-aminopyrrolidin-1-yl]-[5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]methanone
CID 135095143
N-cycloheptyl-5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide
CID 135117222
[3-(hydroxymethyl)pyrrolidin-1-yl]-[5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]methanone
CID 135115014
5-(4-chlorophenyl)-3-[(3R,4S)-3,4-dihydroxypiperidin-1-yl]-1,2-oxazole-4-carboxylic acid
CID 163306699
5-(4-methoxyphenyl)-3-(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-1,2-oxazole-4-carboxylic acid
CID 163305439
5-(4-chlorophenyl)-3-morpholin-4-yl-1,2-oxazole-4-carboxylic acid
CID 163314828
3-[3-(2-methoxyethyl)piperidin-1-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid
CID 135102807
5-(4-fluoro-3-methoxyphenyl)-3-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-1,2-oxazole-4-carboxylic acid
CID 137337650

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropylmorpholin-4-yl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-(2-cyclopropylmorpholin-4-yl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid (CID 135088728) is 3-(2-cyclopropylmorpholin-4-yl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-(2-cyclopropylmorpholin-4-yl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-(2-cyclopropylmorpholin-4-yl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid is COc1ccc(-c2onc(N3CCOC(C4CC4)C3)c2C(=O)O)cc1.
What is the InChIKey of 3-(2-cyclopropylmorpholin-4-yl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is QTAGCPSTDMUEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-23-13-6-4-12(5-7-13)16-15(18(21)22)17(19-25-16)20-8-9-24-14(10-20)11-2-3-11/h4-7,11,14H,2-3,8-10H2,1H3,(H,21,22).
What are the key properties of 3-(2-cyclopropylmorpholin-4-yl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid?
3-(2-cyclopropylmorpholin-4-yl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 344.37 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropylmorpholin-4-yl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 135088728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).