N-[1-[4-(2-oxo-1,3-oxazolidin-4-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide

C23H27F3N6O3 — CID 54770173

IUPACN-[1-[4-(2-oxo-1,3-oxazolidin-4-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
SMILESO=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(C3COC(=O)N3)CC2)C1
InChIInChI=1S/C23H27F3N6O3/c24-23(25,26)14-3-6-18-17(7-14)21(29-12-28-18)27-8-20(33)30-15-9-32(10-15)16-4-1-13(2-5-16)19-11-35-22(34)31-19/h3,6-7,12-13,15-16,19H,1-2,4-5,8-11H2,(H,30,33)(H,31,34)(H,27,28,29)
InChIKeyUGWQDOISEYOIEA-UHFFFAOYSA-N
MW492.50 g/mol
LogP2.53
Rot. Bonds6

About N-[1-[4-(2-oxo-1,3-oxazolidin-4-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide

N-[1-[4-(2-oxo-1,3-oxazolidin-4-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide (PubChem CID 54770173) has the molecular formula C23H27F3N6O3 and a molecular weight of 492.50 g/mol. Its IUPAC name is N-[1-[4-(2-oxo-1,3-oxazolidin-4-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-[1-[4-(2-oxo-1,3-oxazolidin-4-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
PubChem CID54770173
Molecular FormulaC23H27F3N6O3
Molecular Weight492.50 g/mol
Exact Mass492.21
IUPAC NameN-[1-[4-(2-oxo-1,3-oxazolidin-4-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
SMILESO=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(C3COC(=O)N3)CC2)C1
InChIInChI=1S/C23H27F3N6O3/c24-23(25,26)14-3-6-18-17(7-14)21(29-12-28-18)27-8-20(33)30-15-9-32(10-15)16-4-1-13(2-5-16)19-11-35-22(34)31-19/h3,6-7,12-13,15-16,19H,1-2,4-5,8-11H2,(H,30,33)(H,31,34)(H,27,28,29)
InChIKeyUGWQDOISEYOIEA-UHFFFAOYSA-N
XLogP2.53
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.50
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-oxo-1,3-oxazolidin-4-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide?
The IUPAC name of N-[1-[4-(2-oxo-1,3-oxazolidin-4-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide (CID 54770173) is N-[1-[4-(2-oxo-1,3-oxazolidin-4-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide.
What is the SMILES notation for N-[1-[4-(2-oxo-1,3-oxazolidin-4-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide?
The canonical SMILES for N-[1-[4-(2-oxo-1,3-oxazolidin-4-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide is O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(C3COC(=O)N3)CC2)C1.
What is the InChIKey of N-[1-[4-(2-oxo-1,3-oxazolidin-4-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide?
The InChIKey is UGWQDOISEYOIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N6O3/c24-23(25,26)14-3-6-18-17(7-14)21(29-12-28-18)27-8-20(33)30-15-9-32(10-15)16-4-1-13(2-5-16)19-11-35-22(34)31-19/h3,6-7,12-13,15-16,19H,1-2,4-5,8-11H2,(H,30,33)(H,31,34)(H,27,28,29).
What are the key properties of N-[1-[4-(2-oxo-1,3-oxazolidin-4-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide?
N-[1-[4-(2-oxo-1,3-oxazolidin-4-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide has a molecular weight of 492.50 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-oxo-1,3-oxazolidin-4-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide is sourced from PubChem (CID 54770173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).