2,4-dimethyl-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide

C17H15F3N4O2 — CID 121330115

IUPAC2,4-dimethyl-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c2n1
InChIInChI=1S/C17H15F3N4O2/c1-9-7-10(2)24-6-3-11(14(24)21-9)15(25)22-13-8-12(26-23-13)16(4-5-16)17(18,19)20/h3,6-8H,4-5H2,1-2H3,(H,22,23,25)
InChIKeyRJMLAZGMTOGAKV-UHFFFAOYSA-N
MW364.33 g/mol
LogP3.79
Rot. Bonds3

About 2,4-dimethyl-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide

2,4-dimethyl-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 121330115) has the molecular formula C17H15F3N4O2 and a molecular weight of 364.33 g/mol. Its IUPAC name is 2,4-dimethyl-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
PubChem CID121330115
Molecular FormulaC17H15F3N4O2
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC Name2,4-dimethyl-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c2n1
InChIInChI=1S/C17H15F3N4O2/c1-9-7-10(2)24-6-3-11(14(24)21-9)15(25)22-13-8-12(26-23-13)16(4-5-16)17(18,19)20/h3,6-8H,4-5H2,1-2H3,(H,22,23,25)
InChIKeyRJMLAZGMTOGAKV-UHFFFAOYSA-N
XLogP3.79
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 121330115) is 2,4-dimethyl-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide is Cc1cc(C)n2ccc(C(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c2n1.
What is the InChIKey of 2,4-dimethyl-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The InChIKey is RJMLAZGMTOGAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2/c1-9-7-10(2)24-6-3-11(14(24)21-9)15(25)22-13-8-12(26-23-13)16(4-5-16)17(18,19)20/h3,6-8H,4-5H2,1-2H3,(H,22,23,25).
What are the key properties of 2,4-dimethyl-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
2,4-dimethyl-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 364.33 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 121330115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).