ethane;2-(1,2-oxazol-3-yl)acetic acid

C9H17NO3 — CID 91091562

IUPACethane;2-(1,2-oxazol-3-yl)acetic acid
SMILESCC.CC.O=C(O)Cc1ccon1
InChIInChI=1S/C5H5NO3.2C2H6/c7-5(8)3-4-1-2-9-6-4;2*1-2/h1-2H,3H2,(H,7,8);2*1-2H3
InChIKeyQXVVOONPHKAMTB-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.35
Rot. Bonds2

About ethane;2-(1,2-oxazol-3-yl)acetic acid

ethane;2-(1,2-oxazol-3-yl)acetic acid (PubChem CID 91091562) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is ethane;2-(1,2-oxazol-3-yl)acetic acid.

Molecular Properties

Compound Nameethane;2-(1,2-oxazol-3-yl)acetic acid
PubChem CID91091562
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameethane;2-(1,2-oxazol-3-yl)acetic acid
SMILESCC.CC.O=C(O)Cc1ccon1
InChIInChI=1S/C5H5NO3.2C2H6/c7-5(8)3-4-1-2-9-6-4;2*1-2/h1-2H,3H2,(H,7,8);2*1-2H3
InChIKeyQXVVOONPHKAMTB-UHFFFAOYSA-N
XLogP2.35
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(1,2-oxazol-3-yl)acetic acid?
The IUPAC name of ethane;2-(1,2-oxazol-3-yl)acetic acid (CID 91091562) is ethane;2-(1,2-oxazol-3-yl)acetic acid.
What is the SMILES notation for ethane;2-(1,2-oxazol-3-yl)acetic acid?
The canonical SMILES for ethane;2-(1,2-oxazol-3-yl)acetic acid is CC.CC.O=C(O)Cc1ccon1.
What is the InChIKey of ethane;2-(1,2-oxazol-3-yl)acetic acid?
The InChIKey is QXVVOONPHKAMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO3.2C2H6/c7-5(8)3-4-1-2-9-6-4;2*1-2/h1-2H,3H2,(H,7,8);2*1-2H3.
What are the key properties of ethane;2-(1,2-oxazol-3-yl)acetic acid?
ethane;2-(1,2-oxazol-3-yl)acetic acid has a molecular weight of 187.24 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(1,2-oxazol-3-yl)acetic acid is sourced from PubChem (CID 91091562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).