2-(4-chloro-3-methyl-1,2-oxazol-5-yl)acetic acid

C6H6ClNO3 — CID 21451296

IUPAC2-(4-chloro-3-methyl-1,2-oxazol-5-yl)acetic acid
SMILESCc1noc(CC(=O)O)c1Cl
InChIInChI=1S/C6H6ClNO3/c1-3-6(7)4(11-8-3)2-5(9)10/h2H2,1H3,(H,9,10)
InChIKeyOTPDECPXTGPDOO-UHFFFAOYSA-N
MW175.57 g/mol
LogP1.26
Rot. Bonds2

About 2-(4-chloro-3-methyl-1,2-oxazol-5-yl)acetic acid

2-(4-chloro-3-methyl-1,2-oxazol-5-yl)acetic acid (PubChem CID 21451296) has the molecular formula C6H6ClNO3 and a molecular weight of 175.57 g/mol. Its IUPAC name is 2-(4-chloro-3-methyl-1,2-oxazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-3-methyl-1,2-oxazol-5-yl)acetic acid
PubChem CID21451296
Molecular FormulaC6H6ClNO3
Molecular Weight175.57 g/mol
Exact Mass175.00
IUPAC Name2-(4-chloro-3-methyl-1,2-oxazol-5-yl)acetic acid
SMILESCc1noc(CC(=O)O)c1Cl
InChIInChI=1S/C6H6ClNO3/c1-3-6(7)4(11-8-3)2-5(9)10/h2H2,1H3,(H,9,10)
InChIKeyOTPDECPXTGPDOO-UHFFFAOYSA-N
XLogP1.26
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.57
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(bromomethyl)-4-chloro-3-methyl-1,2-oxazole
CID 13228133
O-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methyl]hydroxylamine
CID 13312705
4-chloro-3-methyl-1,2-oxazole-5-sulfinic acid
CID 165455310
2-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)acetic acid
CID 83530225
2-(7-chloro-2,1-benzoxazol-3-yl)acetic acid
CID 105465494
2-(5-methyl-2,1-benzoxazol-3-yl)acetic acid
CID 105444721
2-(5-hydrazinyl-3-methyl-1,2-oxazol-4-yl)acetic acid
CID 83803507
2-(3-chloro-2-methyl-4-pyridinyl)acetic acid
CID 126972308
2-(4,5,7,8-tetrahydrothiepino[4,5-c][1,2]oxazol-3-yl)acetic acid
CID 83871644
methyl 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetate
CID 119027003
2-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetic acid
CID 83858738
5-ethyl-N,N,3-trimethyl-1,2-oxazole-4-carboxamide
CID 130964727

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methyl-1,2-oxazol-5-yl)acetic acid?
The IUPAC name of 2-(4-chloro-3-methyl-1,2-oxazol-5-yl)acetic acid (CID 21451296) is 2-(4-chloro-3-methyl-1,2-oxazol-5-yl)acetic acid.
What is the SMILES notation for 2-(4-chloro-3-methyl-1,2-oxazol-5-yl)acetic acid?
The canonical SMILES for 2-(4-chloro-3-methyl-1,2-oxazol-5-yl)acetic acid is Cc1noc(CC(=O)O)c1Cl.
What is the InChIKey of 2-(4-chloro-3-methyl-1,2-oxazol-5-yl)acetic acid?
The InChIKey is OTPDECPXTGPDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO3/c1-3-6(7)4(11-8-3)2-5(9)10/h2H2,1H3,(H,9,10).
What are the key properties of 2-(4-chloro-3-methyl-1,2-oxazol-5-yl)acetic acid?
2-(4-chloro-3-methyl-1,2-oxazol-5-yl)acetic acid has a molecular weight of 175.57 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methyl-1,2-oxazol-5-yl)acetic acid is sourced from PubChem (CID 21451296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).