(4S,5S)-5-[4-ethoxy-6-(trifluoromethyl)-2-pyridinyl]-4-methyl-2-oxo-N-(quinazolin-8-ylmethyl)-1,3-oxazolidine-3-carboxamide

C22H20F3N5O4 — CID 129273443

IUPAC(4S,5S)-5-[4-ethoxy-6-(trifluoromethyl)-2-pyridinyl]-4-methyl-2-oxo-N-(quinazolin-8-ylmethyl)-1,3-oxazolidine-3-carboxamide
SMILESCCOc1cc([C@H]2OC(=O)N(C(=O)NCc3cccc4cncnc34)[C@H]2C)nc(C(F)(F)F)c1
InChIInChI=1S/C22H20F3N5O4/c1-3-33-15-7-16(29-17(8-15)22(23,24)25)19-12(2)30(21(32)34-19)20(31)27-10-14-6-4-5-13-9-26-11-28-18(13)14/h4-9,11-12,19H,3,10H2,1-2H3,(H,27,31)/t12-,19-/m0/s1
InChIKeyZTHOKPMOIJXKJJ-BUXKBTBVSA-N
MW475.43 g/mol
LogP4.23
Rot. Bonds5

About (4S,5S)-5-[4-ethoxy-6-(trifluoromethyl)-2-pyridinyl]-4-methyl-2-oxo-N-(quinazolin-8-ylmethyl)-1,3-oxazolidine-3-carboxamide

(4S,5S)-5-[4-ethoxy-6-(trifluoromethyl)-2-pyridinyl]-4-methyl-2-oxo-N-(quinazolin-8-ylmethyl)-1,3-oxazolidine-3-carboxamide (PubChem CID 129273443) has the molecular formula C22H20F3N5O4 and a molecular weight of 475.43 g/mol. Its IUPAC name is (4S,5S)-5-[4-ethoxy-6-(trifluoromethyl)-2-pyridinyl]-4-methyl-2-oxo-N-(quinazolin-8-ylmethyl)-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound Name(4S,5S)-5-[4-ethoxy-6-(trifluoromethyl)-2-pyridinyl]-4-methyl-2-oxo-N-(quinazolin-8-ylmethyl)-1,3-oxazolidine-3-carboxamide
PubChem CID129273443
Molecular FormulaC22H20F3N5O4
Molecular Weight475.43 g/mol
Exact Mass475.15
IUPAC Name(4S,5S)-5-[4-ethoxy-6-(trifluoromethyl)-2-pyridinyl]-4-methyl-2-oxo-N-(quinazolin-8-ylmethyl)-1,3-oxazolidine-3-carboxamide
SMILESCCOc1cc([C@H]2OC(=O)N(C(=O)NCc3cccc4cncnc34)[C@H]2C)nc(C(F)(F)F)c1
InChIInChI=1S/C22H20F3N5O4/c1-3-33-15-7-16(29-17(8-15)22(23,24)25)19-12(2)30(21(32)34-19)20(31)27-10-14-6-4-5-13-9-26-11-28-18(13)14/h4-9,11-12,19H,3,10H2,1-2H3,(H,27,31)/t12-,19-/m0/s1
InChIKeyZTHOKPMOIJXKJJ-BUXKBTBVSA-N
XLogP4.23
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-[4-ethoxy-6-(trifluoromethyl)-2-pyridinyl]-4-methyl-2-oxo-N-(quinazolin-8-ylmethyl)-1,3-oxazolidine-3-carboxamide?
The IUPAC name of (4S,5S)-5-[4-ethoxy-6-(trifluoromethyl)-2-pyridinyl]-4-methyl-2-oxo-N-(quinazolin-8-ylmethyl)-1,3-oxazolidine-3-carboxamide (CID 129273443) is (4S,5S)-5-[4-ethoxy-6-(trifluoromethyl)-2-pyridinyl]-4-methyl-2-oxo-N-(quinazolin-8-ylmethyl)-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for (4S,5S)-5-[4-ethoxy-6-(trifluoromethyl)-2-pyridinyl]-4-methyl-2-oxo-N-(quinazolin-8-ylmethyl)-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for (4S,5S)-5-[4-ethoxy-6-(trifluoromethyl)-2-pyridinyl]-4-methyl-2-oxo-N-(quinazolin-8-ylmethyl)-1,3-oxazolidine-3-carboxamide is CCOc1cc([C@H]2OC(=O)N(C(=O)NCc3cccc4cncnc34)[C@H]2C)nc(C(F)(F)F)c1.
What is the InChIKey of (4S,5S)-5-[4-ethoxy-6-(trifluoromethyl)-2-pyridinyl]-4-methyl-2-oxo-N-(quinazolin-8-ylmethyl)-1,3-oxazolidine-3-carboxamide?
The InChIKey is ZTHOKPMOIJXKJJ-BUXKBTBVSA-N. The full InChI is InChI=1S/C22H20F3N5O4/c1-3-33-15-7-16(29-17(8-15)22(23,24)25)19-12(2)30(21(32)34-19)20(31)27-10-14-6-4-5-13-9-26-11-28-18(13)14/h4-9,11-12,19H,3,10H2,1-2H3,(H,27,31)/t12-,19-/m0/s1.
What are the key properties of (4S,5S)-5-[4-ethoxy-6-(trifluoromethyl)-2-pyridinyl]-4-methyl-2-oxo-N-(quinazolin-8-ylmethyl)-1,3-oxazolidine-3-carboxamide?
(4S,5S)-5-[4-ethoxy-6-(trifluoromethyl)-2-pyridinyl]-4-methyl-2-oxo-N-(quinazolin-8-ylmethyl)-1,3-oxazolidine-3-carboxamide has a molecular weight of 475.43 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-[4-ethoxy-6-(trifluoromethyl)-2-pyridinyl]-4-methyl-2-oxo-N-(quinazolin-8-ylmethyl)-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 129273443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).