(2S)-2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methoxy]propanoic acid

C14H15NO4 — CID 104876274

IUPAC(2S)-2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methoxy]propanoic acid
SMILESCc1ccc(-c2cc(CO[C@@H](C)C(=O)O)on2)cc1
InChIInChI=1S/C14H15NO4/c1-9-3-5-11(6-4-9)13-7-12(19-15-13)8-18-10(2)14(16)17/h3-7,10H,8H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyKZNVUYZDVVDPHQ-JTQLQIEISA-N
MW261.28 g/mol
LogP2.64
Rot. Bonds5

About (2S)-2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methoxy]propanoic acid

(2S)-2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methoxy]propanoic acid (PubChem CID 104876274) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is (2S)-2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methoxy]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methoxy]propanoic acid
PubChem CID104876274
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name(2S)-2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methoxy]propanoic acid
SMILESCc1ccc(-c2cc(CO[C@@H](C)C(=O)O)on2)cc1
InChIInChI=1S/C14H15NO4/c1-9-3-5-11(6-4-9)13-7-12(19-15-13)8-18-10(2)14(16)17/h3-7,10H,8H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyKZNVUYZDVVDPHQ-JTQLQIEISA-N
XLogP2.64
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]amino]propanoic acid
CID 122082994
2-[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]acetic acid
CID 82294611
3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,2-oxazole
CID 118321395
(2S)-2-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]propanoic acid
CID 104875900
5-(iodomethyl)-3-(4-methylphenyl)-1,2-oxazole
CID 64787197
3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylamino]propanoic acid
CID 43466304
2-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]acetic acid
CID 82295661
3-methyl-2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid
CID 119212192
2-methyl-3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid
CID 119237689
[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanamine;hydrochloride
CID 42895471
2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl-methylamino]propanoic acid
CID 75384716
5-(phenoxymethyl)-3-phenyl-1,2-oxazole
CID 1480808

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methoxy]propanoic acid?
The IUPAC name of (2S)-2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methoxy]propanoic acid (CID 104876274) is (2S)-2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methoxy]propanoic acid.
What is the SMILES notation for (2S)-2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methoxy]propanoic acid?
The canonical SMILES for (2S)-2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methoxy]propanoic acid is Cc1ccc(-c2cc(CO[C@@H](C)C(=O)O)on2)cc1.
What is the InChIKey of (2S)-2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methoxy]propanoic acid?
The InChIKey is KZNVUYZDVVDPHQ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15NO4/c1-9-3-5-11(6-4-9)13-7-12(19-15-13)8-18-10(2)14(16)17/h3-7,10H,8H2,1-2H3,(H,16,17)/t10-/m0/s1.
What are the key properties of (2S)-2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methoxy]propanoic acid?
(2S)-2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methoxy]propanoic acid has a molecular weight of 261.28 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methoxy]propanoic acid is sourced from PubChem (CID 104876274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).