3-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid

C15H16N2O4 — CID 117465659

IUPAC3-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(CN3CCOCC3)cc2)no1
InChIInChI=1S/C15H16N2O4/c18-15(19)14-9-13(16-21-14)12-3-1-11(2-4-12)10-17-5-7-20-8-6-17/h1-4,9H,5-8,10H2,(H,18,19)
InChIKeyCTMULGUXEQASOZ-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.87
Rot. Bonds4

About 3-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid

3-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 117465659) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid
PubChem CID117465659
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(CN3CCOCC3)cc2)no1
InChIInChI=1S/C15H16N2O4/c18-15(19)14-9-13(16-21-14)12-3-1-11(2-4-12)10-17-5-7-20-8-6-17/h1-4,9H,5-8,10H2,(H,18,19)
InChIKeyCTMULGUXEQASOZ-UHFFFAOYSA-N
XLogP1.87
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117463545
3-(3-chloro-4-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117493548
3-[4-(oxetan-3-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117401338
[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 38429477
3-(4-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxamide
CID 68864303
3-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117489575
3-(3-chlorophenyl)-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1,2-oxazole-5-carboxamide
CID 75469948
3-[4-(3-fluoropropyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117375396
4-[4-(morpholin-4-ylmethyl)phenyl]phenol
CID 39226445
2-methyl-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxylic acid
CID 91341400
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 55843020
2-amino-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyrimidine-4-carboxylic acid
CID 68760205

Frequently Asked Questions

What is the IUPAC name of 3-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid (CID 117465659) is 3-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(-c2ccc(CN3CCOCC3)cc2)no1.
What is the InChIKey of 3-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is CTMULGUXEQASOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-15(19)14-9-13(16-21-14)12-3-1-11(2-4-12)10-17-5-7-20-8-6-17/h1-4,9H,5-8,10H2,(H,18,19).
What are the key properties of 3-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid?
3-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117465659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).