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

C24H26F3N5O3 — CID 54756154

IUPACN-[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide
SMILESO=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(O)(c3cccnc3)CC2)C1
InChIInChI=1S/C24H26F3N5O3/c25-24(26,27)15-3-4-20-19(10-15)22(31-35-20)29-12-21(33)30-17-13-32(14-17)18-5-7-23(34,8-6-18)16-2-1-9-28-11-16/h1-4,9-11,17-18,34H,5-8,12-14H2,(H,29,31)(H,30,33)
InChIKeyMVPBJRRAOFEEKA-UHFFFAOYSA-N
MW489.50 g/mol
LogP3.28
Rot. Bonds6

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

N-[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide (PubChem CID 54756154) has the molecular formula C24H26F3N5O3 and a molecular weight of 489.50 g/mol. Its IUPAC name is N-[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide.

Molecular Properties

Compound NameN-[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide
PubChem CID54756154
Molecular FormulaC24H26F3N5O3
Molecular Weight489.50 g/mol
Exact Mass489.20
IUPAC NameN-[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide
SMILESO=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(O)(c3cccnc3)CC2)C1
InChIInChI=1S/C24H26F3N5O3/c25-24(26,27)15-3-4-20-19(10-15)22(31-35-20)29-12-21(33)30-17-13-32(14-17)18-5-7-23(34,8-6-18)16-2-1-9-28-11-16/h1-4,9-11,17-18,34H,5-8,12-14H2,(H,29,31)(H,30,33)
InChIKeyMVPBJRRAOFEEKA-UHFFFAOYSA-N
XLogP3.28
TPSA103.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.50
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide?
The IUPAC name of N-[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide (CID 54756154) is N-[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide.
What is the SMILES notation for N-[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide?
The canonical SMILES for N-[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)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)(c3cccnc3)CC2)C1.
What is the InChIKey of N-[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide?
The InChIKey is MVPBJRRAOFEEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O3/c25-24(26,27)15-3-4-20-19(10-15)22(31-35-20)29-12-21(33)30-17-13-32(14-17)18-5-7-23(34,8-6-18)16-2-1-9-28-11-16/h1-4,9-11,17-18,34H,5-8,12-14H2,(H,29,31)(H,30,33).
What are the key properties of N-[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide?
N-[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide has a molecular weight of 489.50 g/mol, XLogP of 3.28, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide is sourced from PubChem (CID 54756154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).