3-(4-hydroxyphenyl)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid

C14H14N2O5 — CID 43209778

IUPAC3-(4-hydroxyphenyl)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
SMILESCc1cc(C(=O)NC(Cc2ccc(O)cc2)C(=O)O)no1
InChIInChI=1S/C14H14N2O5/c1-8-6-11(16-21-8)13(18)15-12(14(19)20)7-9-2-4-10(17)5-3-9/h2-6,12,17H,7H2,1H3,(H,15,18)(H,19,20)
InChIKeyDTPURQAINOMBOD-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.11
Rot. Bonds5

About 3-(4-hydroxyphenyl)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid

3-(4-hydroxyphenyl)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid (PubChem CID 43209778) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
PubChem CID43209778
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name3-(4-hydroxyphenyl)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
SMILESCc1cc(C(=O)NC(Cc2ccc(O)cc2)C(=O)O)no1
InChIInChI=1S/C14H14N2O5/c1-8-6-11(16-21-8)13(18)15-12(14(19)20)7-9-2-4-10(17)5-3-9/h2-6,12,17H,7H2,1H3,(H,15,18)(H,19,20)
InChIKeyDTPURQAINOMBOD-UHFFFAOYSA-N
XLogP1.11
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanedioic acid
CID 112732912
(2S)-4-hydroxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 107822436
(2S)-5-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid
CID 162739246
N-[(1R)-1,2-diphenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 31348831
5-methyl-N-(1-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide
CID 176958817
2-[[4-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]benzoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 3417680
(2R)-3-(4-hydroxyphenyl)-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 30051960
(E)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hex-4-enoic acid
CID 120692636
N-[1-(cyclopropylmethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 42821216
N-[3-(4-fluorophenyl)-1-oxo-1-(2-oxoethylamino)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 167480989
3-(4-hydroxyphenyl)-2-[(3-methylfuran-2-carbonyl)amino]propanoic acid
CID 16771699
(2S)-3-(4-hydroxyphenyl)-2-(1,2,5-thiadiazole-3-carbonylamino)propanoic acid
CID 61152385

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-(4-hydroxyphenyl)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid (CID 43209778) is 3-(4-hydroxyphenyl)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-(4-hydroxyphenyl)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-(4-hydroxyphenyl)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid is Cc1cc(C(=O)NC(Cc2ccc(O)cc2)C(=O)O)no1.
What is the InChIKey of 3-(4-hydroxyphenyl)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid?
The InChIKey is DTPURQAINOMBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-8-6-11(16-21-8)13(18)15-12(14(19)20)7-9-2-4-10(17)5-3-9/h2-6,12,17H,7H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 3-(4-hydroxyphenyl)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid?
3-(4-hydroxyphenyl)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid has a molecular weight of 290.28 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 43209778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).