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

C9H12FNO3 — CID 84776132

IUPAC2-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-2-yl]acetic acid
SMILESCc1nc(CC(=O)O)oc1C(C)(C)F
InChIInChI=1S/C9H12FNO3/c1-5-8(9(2,3)10)14-6(11-5)4-7(12)13/h4H2,1-3H3,(H,12,13)
InChIKeyHBEOSLFIWNTJHH-UHFFFAOYSA-N
MW201.20 g/mol
LogP1.81
Rot. Bonds3

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

2-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-2-yl]acetic acid (PubChem CID 84776132) has the molecular formula C9H12FNO3 and a molecular weight of 201.20 g/mol. Its IUPAC name is 2-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-2-yl]acetic acid
PubChem CID84776132
Molecular FormulaC9H12FNO3
Molecular Weight201.20 g/mol
Exact Mass201.08
IUPAC Name2-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-2-yl]acetic acid
SMILESCc1nc(CC(=O)O)oc1C(C)(C)F
InChIInChI=1S/C9H12FNO3/c1-5-8(9(2,3)10)14-6(11-5)4-7(12)13/h4H2,1-3H3,(H,12,13)
InChIKeyHBEOSLFIWNTJHH-UHFFFAOYSA-N
XLogP1.81
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-Dimethyl-5-oxazolyl)acetic Acid
CID 75532040
2-(2-Tert-butyl-4-methyl-1,3-oxazol-5-yl)acetic acid
CID 75532043
5-Tert-butyl-2-methyl-4-(trifluoromethyl)-1,3-oxazole
CID 57709386
2,5-Di(propan-2-yl)-4-(trifluoromethyl)-1,3-oxazole
CID 58428484
2-Methyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole
CID 68235773
5-Tert-butyl-4-(difluoromethyl)-2-methyl-1,3-oxazole
CID 153449529
2-[4-(Difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-2-methylpropan-1-ol
CID 169162758
1-[4-(Difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-2-methylpropan-2-ol
CID 169162993
4-Methyl-5-propan-2-yl-2-(trifluoromethyl)-1,3-oxazole
CID 169163080
4-(Difluoromethyl)-2-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole
CID 169163289
2-(2-Fluoropropan-2-yl)-4-methyl-5-propan-2-yl-1,3-oxazole
CID 169163555
4-(Difluoromethyl)-2-(2-fluoropropan-2-yl)-5-propan-2-yl-1,3-oxazole
CID 169164988

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-2-yl]acetic acid?
The IUPAC name of 2-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-2-yl]acetic acid (CID 84776132) is 2-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-2-yl]acetic acid is Cc1nc(CC(=O)O)oc1C(C)(C)F.
What is the InChIKey of 2-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-2-yl]acetic acid?
The InChIKey is HBEOSLFIWNTJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO3/c1-5-8(9(2,3)10)14-6(11-5)4-7(12)13/h4H2,1-3H3,(H,12,13).
What are the key properties of 2-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-2-yl]acetic acid?
2-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-2-yl]acetic acid has a molecular weight of 201.20 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-2-yl]acetic acid is sourced from PubChem (CID 84776132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).