N-[3-(6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

C21H21FN6O2 — CID 118162585

IUPACN-[3-(6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(F)c(-c3nc4ncc(C(C)(C)C)cn4n3)c2)o1
InChIInChI=1S/C21H21FN6O2/c1-11-17(30-12(2)24-11)19(29)25-14-6-7-16(22)15(8-14)18-26-20-23-9-13(21(3,4)5)10-28(20)27-18/h6-10H,1-5H3,(H,25,29)
InChIKeyPFTRFULSCDGUFR-UHFFFAOYSA-N
MW408.44 g/mol
LogP4.09
Rot. Bonds3

About N-[3-(6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-[3-(6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 118162585) has the molecular formula C21H21FN6O2 and a molecular weight of 408.44 g/mol. Its IUPAC name is N-[3-(6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID118162585
Molecular FormulaC21H21FN6O2
Molecular Weight408.44 g/mol
Exact Mass408.17
IUPAC NameN-[3-(6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(F)c(-c3nc4ncc(C(C)(C)C)cn4n3)c2)o1
InChIInChI=1S/C21H21FN6O2/c1-11-17(30-12(2)24-11)19(29)25-14-6-7-16(22)15(8-14)18-26-20-23-9-13(21(3,4)5)10-28(20)27-18/h6-10H,1-5H3,(H,25,29)
InChIKeyPFTRFULSCDGUFR-UHFFFAOYSA-N
XLogP4.09
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-(6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide with MolForge

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Related Compounds

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CID 118162707
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CID 118162711
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CID 155514062
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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[3-(6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 118162585) is N-[3-(6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-(6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[3-(6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ccc(F)c(-c3nc4ncc(C(C)(C)C)cn4n3)c2)o1.
What is the InChIKey of N-[3-(6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is PFTRFULSCDGUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O2/c1-11-17(30-12(2)24-11)19(29)25-14-6-7-16(22)15(8-14)18-26-20-23-9-13(21(3,4)5)10-28(20)27-18/h6-10H,1-5H3,(H,25,29).
What are the key properties of N-[3-(6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[3-(6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 408.44 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 118162585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).