(2S)-2-methoxy-2-(1,3-oxazol-5-yl)acetic acid

C6H7NO4 — CID 167015592

IUPAC(2S)-2-methoxy-2-(1,3-oxazol-5-yl)acetic acid
SMILESCO[C@H](C(=O)O)c1cnco1
InChIInChI=1S/C6H7NO4/c1-10-5(6(8)9)4-2-7-3-11-4/h2-3,5H,1H3,(H,8,9)/t5-/m0/s1
InChIKeyPXMQWKTXXMNTEX-YFKPBYRVSA-N
MW157.12 g/mol
LogP0.45
Rot. Bonds3

About (2S)-2-methoxy-2-(1,3-oxazol-5-yl)acetic acid

(2S)-2-methoxy-2-(1,3-oxazol-5-yl)acetic acid (PubChem CID 167015592) has the molecular formula C6H7NO4 and a molecular weight of 157.12 g/mol. Its IUPAC name is (2S)-2-methoxy-2-(1,3-oxazol-5-yl)acetic acid.

Molecular Properties

Compound Name(2S)-2-methoxy-2-(1,3-oxazol-5-yl)acetic acid
PubChem CID167015592
Molecular FormulaC6H7NO4
Molecular Weight157.12 g/mol
Exact Mass157.04
IUPAC Name(2S)-2-methoxy-2-(1,3-oxazol-5-yl)acetic acid
SMILESCO[C@H](C(=O)O)c1cnco1
InChIInChI=1S/C6H7NO4/c1-10-5(6(8)9)4-2-7-3-11-4/h2-3,5H,1H3,(H,8,9)/t5-/m0/s1
InChIKeyPXMQWKTXXMNTEX-YFKPBYRVSA-N
XLogP0.45
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.12
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis(1,3-oxazol-5-yl)methanol
CID 175811606
4-amino-3-(1,3-oxazol-5-yl)butanoic acid
CID 82598142
4-amino-4-(1,3-oxazol-5-yl)butanoic acid
CID 82598143
(2S)-2-(5-fluoro-2-pyridinyl)-2-methoxyacetic acid
CID 167014812
[2-(1,3-oxazol-5-yl)-2-phenylethyl] methanesulfonate
CID 87961251
2-methoxy-2-(2,4,6-trimethylphenyl)acetic acid
CID 15709414
2-(3,5-difluorophenyl)-2-methoxyacetic acid
CID 22392927
2-[4-(difluoromethyl)phenyl]-2-methoxyacetic acid
CID 116769538
(2R)-2-methoxy-2-(1-methylimidazol-2-yl)acetic acid
CID 167014806
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methoxyacetic acid
CID 167742574
(2R)-2-(2-bromophenyl)-2-methoxyacetic acid
CID 124585261
2-amino-3-methyl-1-(1,3-oxazol-5-yl)butan-1-ol
CID 82412434

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-2-(1,3-oxazol-5-yl)acetic acid?
The IUPAC name of (2S)-2-methoxy-2-(1,3-oxazol-5-yl)acetic acid (CID 167015592) is (2S)-2-methoxy-2-(1,3-oxazol-5-yl)acetic acid.
What is the SMILES notation for (2S)-2-methoxy-2-(1,3-oxazol-5-yl)acetic acid?
The canonical SMILES for (2S)-2-methoxy-2-(1,3-oxazol-5-yl)acetic acid is CO[C@H](C(=O)O)c1cnco1.
What is the InChIKey of (2S)-2-methoxy-2-(1,3-oxazol-5-yl)acetic acid?
The InChIKey is PXMQWKTXXMNTEX-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H7NO4/c1-10-5(6(8)9)4-2-7-3-11-4/h2-3,5H,1H3,(H,8,9)/t5-/m0/s1.
What are the key properties of (2S)-2-methoxy-2-(1,3-oxazol-5-yl)acetic acid?
(2S)-2-methoxy-2-(1,3-oxazol-5-yl)acetic acid has a molecular weight of 157.12 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-2-(1,3-oxazol-5-yl)acetic acid is sourced from PubChem (CID 167015592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).