3,3,3-trifluoro-2-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid

C10H12F3N3O4 — CID 106374751

IUPAC3,3,3-trifluoro-2-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid
SMILESCc1cnc(CNC(=O)NC(C)(C(=O)O)C(F)(F)F)o1
InChIInChI=1S/C10H12F3N3O4/c1-5-3-14-6(20-5)4-15-8(19)16-9(2,7(17)18)10(11,12)13/h3H,4H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyCYUUCQQLAOBESE-UHFFFAOYSA-N
MW295.22 g/mol
LogP1.19
Rot. Bonds4

About 3,3,3-trifluoro-2-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid

3,3,3-trifluoro-2-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid (PubChem CID 106374751) has the molecular formula C10H12F3N3O4 and a molecular weight of 295.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid
PubChem CID106374751
Molecular FormulaC10H12F3N3O4
Molecular Weight295.22 g/mol
Exact Mass295.08
IUPAC Name3,3,3-trifluoro-2-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid
SMILESCc1cnc(CNC(=O)NC(C)(C(=O)O)C(F)(F)F)o1
InChIInChI=1S/C10H12F3N3O4/c1-5-3-14-6(20-5)4-15-8(19)16-9(2,7(17)18)10(11,12)13/h3H,4H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyCYUUCQQLAOBESE-UHFFFAOYSA-N
XLogP1.19
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3,3,3-trifluoro-2-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid with MolForge

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Related Compounds

t-Butyl [2,2,2-trifluoro-1-(5-methyloxazol-2-yl)ethyl]-carbamate
CID 168475044
2-(Azetidin-3-yl)-5-methyl-1,3-oxazole;2,2,2-trifluoroacetic acid
CID 146314140
2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183972
2-[(5-Tert-butyl-1,3-oxazol-2-yl)methylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79791610
1-[5-(Difluoromethyl)-1,3-oxazol-2-yl]ethanamine
CID 84764452
1-[5-(difluoromethyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 84767066
1-(5-methyl-1,3-oxazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 103246018
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 103726112
2,2,3,3-tetrafluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 103737118
1-(5-methyl-1,3-oxazol-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 103893513
2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 103893561
2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 103893580

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid (CID 106374751) is 3,3,3-trifluoro-2-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid is Cc1cnc(CNC(=O)NC(C)(C(=O)O)C(F)(F)F)o1.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid?
The InChIKey is CYUUCQQLAOBESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O4/c1-5-3-14-6(20-5)4-15-8(19)16-9(2,7(17)18)10(11,12)13/h3H,4H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 3,3,3-trifluoro-2-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid?
3,3,3-trifluoro-2-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid has a molecular weight of 295.22 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid is sourced from PubChem (CID 106374751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).