N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide

C22H24F3N5O3S — CID 54756035

IUPACN-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide
SMILESO=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(O)(c3nccs3)CC2)C1
InChIInChI=1S/C22H24F3N5O3S/c23-22(24,25)13-1-2-17-16(9-13)19(29-33-17)27-10-18(31)28-14-11-30(12-14)15-3-5-21(32,6-4-15)20-26-7-8-34-20/h1-2,7-9,14-15,32H,3-6,10-12H2,(H,27,29)(H,28,31)
InChIKeySWAJJFSUCMWOIY-UHFFFAOYSA-N
MW495.53 g/mol
LogP3.35
Rot. Bonds6

About N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide

N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide (PubChem CID 54756035) has the molecular formula C22H24F3N5O3S and a molecular weight of 495.53 g/mol. Its IUPAC name is N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide.

Molecular Properties

Compound NameN-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide
PubChem CID54756035
Molecular FormulaC22H24F3N5O3S
Molecular Weight495.53 g/mol
Exact Mass495.16
IUPAC NameN-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide
SMILESO=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(O)(c3nccs3)CC2)C1
InChIInChI=1S/C22H24F3N5O3S/c23-22(24,25)13-1-2-17-16(9-13)19(29-33-17)27-10-18(31)28-14-11-30(12-14)15-3-5-21(32,6-4-15)20-26-7-8-34-20/h1-2,7-9,14-15,32H,3-6,10-12H2,(H,27,29)(H,28,31)
InChIKeySWAJJFSUCMWOIY-UHFFFAOYSA-N
XLogP3.35
TPSA103.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.53
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 54756154
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CID 58548693
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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide?
The IUPAC name of N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide (CID 54756035) is N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide.
What is the SMILES notation for N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide?
The canonical SMILES for N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide is O=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(O)(c3nccs3)CC2)C1.
What is the InChIKey of N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide?
The InChIKey is SWAJJFSUCMWOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O3S/c23-22(24,25)13-1-2-17-16(9-13)19(29-33-17)27-10-18(31)28-14-11-30(12-14)15-3-5-21(32,6-4-15)20-26-7-8-34-20/h1-2,7-9,14-15,32H,3-6,10-12H2,(H,27,29)(H,28,31).
What are the key properties of N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide?
N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide has a molecular weight of 495.53 g/mol, XLogP of 3.35, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide is sourced from PubChem (CID 54756035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).