2-[5-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]acetic acid

C10H9NO3S — CID 174548603

IUPAC2-[5-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]acetic acid
SMILESO=C(O)Cc1ncoc1Cc1cccs1
InChIInChI=1S/C10H9NO3S/c12-10(13)5-8-9(14-6-11-8)4-7-2-1-3-15-7/h1-3,6H,4-5H2,(H,12,13)
InChIKeyYVDUCWMRLOSBSM-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.95
Rot. Bonds4

About 2-[5-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]acetic acid

2-[5-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]acetic acid (PubChem CID 174548603) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-[5-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]acetic acid
PubChem CID174548603
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Name2-[5-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]acetic acid
SMILESO=C(O)Cc1ncoc1Cc1cccs1
InChIInChI=1S/C10H9NO3S/c12-10(13)5-8-9(14-6-11-8)4-7-2-1-3-15-7/h1-3,6H,4-5H2,(H,12,13)
InChIKeyYVDUCWMRLOSBSM-UHFFFAOYSA-N
XLogP1.95
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]acetic acid?
The IUPAC name of 2-[5-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]acetic acid (CID 174548603) is 2-[5-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]acetic acid is O=C(O)Cc1ncoc1Cc1cccs1.
What is the InChIKey of 2-[5-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]acetic acid?
The InChIKey is YVDUCWMRLOSBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c12-10(13)5-8-9(14-6-11-8)4-7-2-1-3-15-7/h1-3,6H,4-5H2,(H,12,13).
What are the key properties of 2-[5-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]acetic acid?
2-[5-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]acetic acid has a molecular weight of 223.25 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]acetic acid is sourced from PubChem (CID 174548603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).