N-[(2R)-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethyl]acetamide

C17H15F3N6O2 — CID 146676711

IUPACN-[(2R)-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethyl]acetamide
SMILESCC(=O)NC[C@H](Nc1ncc(-c2nnc(C(F)F)o2)cn1)c1ccc(F)cc1
InChIInChI=1S/C17H15F3N6O2/c1-9(27)21-8-13(10-2-4-12(18)5-3-10)24-17-22-6-11(7-23-17)15-25-26-16(28-15)14(19)20/h2-7,13-14H,8H2,1H3,(H,21,27)(H,22,23,24)/t13-/m0/s1
InChIKeyGLFNRRJQIHXCIE-ZDUSSCGKSA-N
MW392.34 g/mol
LogP2.89
Rot. Bonds7

About N-[(2R)-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethyl]acetamide

N-[(2R)-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 146676711) has the molecular formula C17H15F3N6O2 and a molecular weight of 392.34 g/mol. Its IUPAC name is N-[(2R)-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethyl]acetamide
PubChem CID146676711
Molecular FormulaC17H15F3N6O2
Molecular Weight392.34 g/mol
Exact Mass392.12
IUPAC NameN-[(2R)-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethyl]acetamide
SMILESCC(=O)NC[C@H](Nc1ncc(-c2nnc(C(F)F)o2)cn1)c1ccc(F)cc1
InChIInChI=1S/C17H15F3N6O2/c1-9(27)21-8-13(10-2-4-12(18)5-3-10)24-17-22-6-11(7-23-17)15-25-26-16(28-15)14(19)20/h2-7,13-14H,8H2,1H3,(H,21,27)(H,22,23,24)/t13-/m0/s1
InChIKeyGLFNRRJQIHXCIE-ZDUSSCGKSA-N
XLogP2.89
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of N-[(2R)-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethyl]acetamide (CID 146676711) is N-[(2R)-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for N-[(2R)-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for N-[(2R)-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethyl]acetamide is CC(=O)NC[C@H](Nc1ncc(-c2nnc(C(F)F)o2)cn1)c1ccc(F)cc1.
What is the InChIKey of N-[(2R)-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is GLFNRRJQIHXCIE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H15F3N6O2/c1-9(27)21-8-13(10-2-4-12(18)5-3-10)24-17-22-6-11(7-23-17)15-25-26-16(28-15)14(19)20/h2-7,13-14H,8H2,1H3,(H,21,27)(H,22,23,24)/t13-/m0/s1.
What are the key properties of N-[(2R)-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethyl]acetamide?
N-[(2R)-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 392.34 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 146676711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).