(2R)-4-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]morpholine-2-carboxylic acid

C18H20N2O5 — CID 124697278

IUPAC(2R)-4-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]morpholine-2-carboxylic acid
SMILESCc1ccc(-c2cnc(CCC(=O)N3CCO[C@@H](C(=O)O)C3)o2)cc1
InChIInChI=1S/C18H20N2O5/c1-12-2-4-13(5-3-12)14-10-19-16(25-14)6-7-17(21)20-8-9-24-15(11-20)18(22)23/h2-5,10,15H,6-9,11H2,1H3,(H,22,23)/t15-/m1/s1
InChIKeyRRQGVWMDBNTFCZ-OAHLLOKOSA-N
MW344.37 g/mol
LogP1.89
Rot. Bonds5

About (2R)-4-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]morpholine-2-carboxylic acid

(2R)-4-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]morpholine-2-carboxylic acid (PubChem CID 124697278) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is (2R)-4-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]morpholine-2-carboxylic acid
PubChem CID124697278
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name(2R)-4-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]morpholine-2-carboxylic acid
SMILESCc1ccc(-c2cnc(CCC(=O)N3CCO[C@@H](C(=O)O)C3)o2)cc1
InChIInChI=1S/C18H20N2O5/c1-12-2-4-13(5-3-12)14-10-19-16(25-14)6-7-17(21)20-8-9-24-15(11-20)18(22)23/h2-5,10,15H,6-9,11H2,1H3,(H,22,23)/t15-/m1/s1
InChIKeyRRQGVWMDBNTFCZ-OAHLLOKOSA-N
XLogP1.89
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
CID 51304858
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[(2R)-2-methylmorpholin-4-yl]propan-1-one
CID 30176196
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119483167
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 38491702
2-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]morpholin-2-yl]acetic acid
CID 119247740
2-[1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]acetic acid
CID 119178646
4-[4-(4-methylphenyl)butanoyl]morpholine-2-carboxylic acid
CID 119238769
1-(3-methylmorpholin-4-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 56811973
1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylic acid
CID 119136265
1-(1,4-diazepan-1-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119414024
(2S)-4-[3-(2,4-dimethylphenyl)propanoyl]morpholine-2-carboxylic acid
CID 124696038
(2R)-4-[3-(5-methylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid
CID 124696036

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]morpholine-2-carboxylic acid (CID 124697278) is (2R)-4-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]morpholine-2-carboxylic acid is Cc1ccc(-c2cnc(CCC(=O)N3CCO[C@@H](C(=O)O)C3)o2)cc1.
What is the InChIKey of (2R)-4-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]morpholine-2-carboxylic acid?
The InChIKey is RRQGVWMDBNTFCZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-12-2-4-13(5-3-12)14-10-19-16(25-14)6-7-17(21)20-8-9-24-15(11-20)18(22)23/h2-5,10,15H,6-9,11H2,1H3,(H,22,23)/t15-/m1/s1.
What are the key properties of (2R)-4-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]morpholine-2-carboxylic acid?
(2R)-4-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]morpholine-2-carboxylic acid has a molecular weight of 344.37 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 124697278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).