cis-[(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] (1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate

C18H17F3N2O4 — CID 97069596

IUPACcis-[(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] (1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
SMILESCc1cc(NC(=O)[C@H](C)OC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)on1
InChIInChI=1S/C18H17F3N2O4/c1-9-7-15(27-23-9)22-16(24)10(2)26-17(25)13-8-12(13)11-5-3-4-6-14(11)18(19,20)21/h3-7,10,12-13H,8H2,1-2H3,(H,22,24)/t10-,12+,13+/m0/s1
InChIKeyVFLCYEKUVJUXNH-CYZMBNFOSA-N
MW382.34 g/mol
LogP3.68
Rot. Bonds5

About cis-[(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] (1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate

cis-[(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] (1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate (PubChem CID 97069596) has the molecular formula C18H17F3N2O4 and a molecular weight of 382.34 g/mol. Its IUPAC name is cis-[(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] (1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-[(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] (1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
PubChem CID97069596
Molecular FormulaC18H17F3N2O4
Molecular Weight382.34 g/mol
Exact Mass382.11
IUPAC Namecis-[(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] (1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
SMILESCc1cc(NC(=O)[C@H](C)OC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)on1
InChIInChI=1S/C18H17F3N2O4/c1-9-7-15(27-23-9)22-16(24)10(2)26-17(25)13-8-12(13)11-5-3-4-6-14(11)18(19,20)21/h3-7,10,12-13H,8H2,1-2H3,(H,22,24)/t10-,12+,13+/m0/s1
InChIKeyVFLCYEKUVJUXNH-CYZMBNFOSA-N
XLogP3.68
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cis-[(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] (1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-[(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] (1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate?
The IUPAC name of cis-[(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] (1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate (CID 97069596) is cis-[(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] (1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for cis-[(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] (1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate?
The canonical SMILES for cis-[(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] (1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate is Cc1cc(NC(=O)[C@H](C)OC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)on1.
What is the InChIKey of cis-[(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] (1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate?
The InChIKey is VFLCYEKUVJUXNH-CYZMBNFOSA-N. The full InChI is InChI=1S/C18H17F3N2O4/c1-9-7-15(27-23-9)22-16(24)10(2)26-17(25)13-8-12(13)11-5-3-4-6-14(11)18(19,20)21/h3-7,10,12-13H,8H2,1-2H3,(H,22,24)/t10-,12+,13+/m0/s1.
What are the key properties of cis-[(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] (1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate?
cis-[(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] (1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate has a molecular weight of 382.34 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-[(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] (1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 97069596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).