2-[4-methyl-2-(oxolan-2-yl)-1,3-oxazol-5-yl]acetic acid

C10H13NO4 — CID 115027230

IUPAC2-[4-methyl-2-(oxolan-2-yl)-1,3-oxazol-5-yl]acetic acid
SMILESCc1nc(C2CCCO2)oc1CC(=O)O
InChIInChI=1S/C10H13NO4/c1-6-8(5-9(12)13)15-10(11-6)7-3-2-4-14-7/h7H,2-5H2,1H3,(H,12,13)
InChIKeyKILSBDVXZFBGCE-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.46
Rot. Bonds3

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

2-[4-methyl-2-(oxolan-2-yl)-1,3-oxazol-5-yl]acetic acid (PubChem CID 115027230) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[4-methyl-2-(oxolan-2-yl)-1,3-oxazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-methyl-2-(oxolan-2-yl)-1,3-oxazol-5-yl]acetic acid
PubChem CID115027230
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name2-[4-methyl-2-(oxolan-2-yl)-1,3-oxazol-5-yl]acetic acid
SMILESCc1nc(C2CCCO2)oc1CC(=O)O
InChIInChI=1S/C10H13NO4/c1-6-8(5-9(12)13)15-10(11-6)7-3-2-4-14-7/h7H,2-5H2,1H3,(H,12,13)
InChIKeyKILSBDVXZFBGCE-UHFFFAOYSA-N
XLogP1.46
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)acetic acid
CID 82125302
2-[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetic acid
CID 65331290
2-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]acetic acid
CID 115036116
3-[4,6-dimethyl-2-(oxolan-2-yl)pyrimidin-5-yl]propanoic acid
CID 65328486
2-[2-(oxan-2-yl)-1,3-oxazol-4-yl]acetic acid
CID 115027246
3-methyl-4-[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 62963809
methyl 4-methyl-2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate
CID 115327935
(E)-3-[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 81252842
2-[2-(oxolan-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 79785896
2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]acetic acid
CID 105480301
2-(oxan-2-yl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid
CID 114218201
4-[methyl-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]butanoic acid
CID 120513919

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(oxolan-2-yl)-1,3-oxazol-5-yl]acetic acid?
The IUPAC name of 2-[4-methyl-2-(oxolan-2-yl)-1,3-oxazol-5-yl]acetic acid (CID 115027230) is 2-[4-methyl-2-(oxolan-2-yl)-1,3-oxazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-methyl-2-(oxolan-2-yl)-1,3-oxazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-methyl-2-(oxolan-2-yl)-1,3-oxazol-5-yl]acetic acid is Cc1nc(C2CCCO2)oc1CC(=O)O.
What is the InChIKey of 2-[4-methyl-2-(oxolan-2-yl)-1,3-oxazol-5-yl]acetic acid?
The InChIKey is KILSBDVXZFBGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-6-8(5-9(12)13)15-10(11-6)7-3-2-4-14-7/h7H,2-5H2,1H3,(H,12,13).
What are the key properties of 2-[4-methyl-2-(oxolan-2-yl)-1,3-oxazol-5-yl]acetic acid?
2-[4-methyl-2-(oxolan-2-yl)-1,3-oxazol-5-yl]acetic acid has a molecular weight of 211.22 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(oxolan-2-yl)-1,3-oxazol-5-yl]acetic acid is sourced from PubChem (CID 115027230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).