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N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(4-fluorophenyl)propyl]-N-methylacetamide

C19H18F3N5O2 — CID 159924071

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(4-fluorophenyl)propyl]-N-methylacetamide
SMILESCC(=O)N(C)CC(Cc1ncc(-c2nnc(C(F)F)o2)cn1)c1ccc(F)cc1
InChIInChI=1S/C19H18F3N5O2/c1-11(28)27(2)10-13(12-3-5-15(20)6-4-12)7-16-23-8-14(9-24-16)18-25-26-19(29-18)17(21)22/h3-6,8-9,13,17H,7,10H2,1-2H3
InChIKeyZZGPOROLQUPMAC-UHFFFAOYSA-N
MW405.38 g/mol
LogP3.41
Rot. Bonds7

About N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(4-fluorophenyl)propyl]-N-methylacetamide

N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(4-fluorophenyl)propyl]-N-methylacetamide (PubChem CID 159924071) has the molecular formula C19H18F3N5O2 and a molecular weight of 405.38 g/mol. Its IUPAC name is N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(4-fluorophenyl)propyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(4-fluorophenyl)propyl]-N-methylacetamide
PubChem CID159924071
Molecular FormulaC19H18F3N5O2
Molecular Weight405.38 g/mol
Exact Mass405.14
IUPAC NameN-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(4-fluorophenyl)propyl]-N-methylacetamide
SMILESCC(=O)N(C)CC(Cc1ncc(-c2nnc(C(F)F)o2)cn1)c1ccc(F)cc1
InChIInChI=1S/C19H18F3N5O2/c1-11(28)27(2)10-13(12-3-5-15(20)6-4-12)7-16-23-8-14(9-24-16)18-25-26-19(29-18)17(21)22/h3-6,8-9,13,17H,7,10H2,1-2H3
InChIKeyZZGPOROLQUPMAC-UHFFFAOYSA-N
XLogP3.41
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(4-fluorophenyl)propyl]-N-methylacetamide?
The IUPAC name of N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(4-fluorophenyl)propyl]-N-methylacetamide (CID 159924071) is N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(4-fluorophenyl)propyl]-N-methylacetamide.
What is the SMILES notation for N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(4-fluorophenyl)propyl]-N-methylacetamide?
The canonical SMILES for N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(4-fluorophenyl)propyl]-N-methylacetamide is CC(=O)N(C)CC(Cc1ncc(-c2nnc(C(F)F)o2)cn1)c1ccc(F)cc1.
What is the InChIKey of N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(4-fluorophenyl)propyl]-N-methylacetamide?
The InChIKey is ZZGPOROLQUPMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O2/c1-11(28)27(2)10-13(12-3-5-15(20)6-4-12)7-16-23-8-14(9-24-16)18-25-26-19(29-18)17(21)22/h3-6,8-9,13,17H,7,10H2,1-2H3.
What are the key properties of N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(4-fluorophenyl)propyl]-N-methylacetamide?
N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(4-fluorophenyl)propyl]-N-methylacetamide has a molecular weight of 405.38 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(4-fluorophenyl)propyl]-N-methylacetamide is sourced from PubChem (CID 159924071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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