[2-[[(1S)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate

C14H18F3N3O4 — CID 26004522

IUPAC[2-[[(1S)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(N)c1C(=O)OCC(=O)N(CC(F)(F)F)[C@@H](C)C1CC1
InChIInChI=1S/C14H18F3N3O4/c1-7-11(12(18)24-19-7)13(22)23-5-10(21)20(6-14(15,16)17)8(2)9-3-4-9/h8-9H,3-6,18H2,1-2H3/t8-/m0/s1
InChIKeyKYVSFXBDSFKBMC-QMMMGPOBSA-N
MW349.31 g/mol
LogP1.91
Rot. Bonds6

About [2-[[(1S)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate

[2-[[(1S)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate (PubChem CID 26004522) has the molecular formula C14H18F3N3O4 and a molecular weight of 349.31 g/mol. Its IUPAC name is [2-[[(1S)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-[[(1S)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
PubChem CID26004522
Molecular FormulaC14H18F3N3O4
Molecular Weight349.31 g/mol
Exact Mass349.12
IUPAC Name[2-[[(1S)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(N)c1C(=O)OCC(=O)N(CC(F)(F)F)[C@@H](C)C1CC1
InChIInChI=1S/C14H18F3N3O4/c1-7-11(12(18)24-19-7)13(22)23-5-10(21)20(6-14(15,16)17)8(2)9-3-4-9/h8-9H,3-6,18H2,1-2H3/t8-/m0/s1
InChIKeyKYVSFXBDSFKBMC-QMMMGPOBSA-N
XLogP1.91
TPSA98.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[[(1S)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-[[(1S)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate (CID 26004522) is [2-[[(1S)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-[[(1S)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-[[(1S)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate is Cc1noc(N)c1C(=O)OCC(=O)N(CC(F)(F)F)[C@@H](C)C1CC1.
What is the InChIKey of [2-[[(1S)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is KYVSFXBDSFKBMC-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H18F3N3O4/c1-7-11(12(18)24-19-7)13(22)23-5-10(21)20(6-14(15,16)17)8(2)9-3-4-9/h8-9H,3-6,18H2,1-2H3/t8-/m0/s1.
What are the key properties of [2-[[(1S)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
[2-[[(1S)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 349.31 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 26004522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).