2,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide

C14H16F3N3O2 — CID 48733614

IUPAC2,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide
SMILESCc1cc(CNC(=O)c2cc(C)n(CC(F)(F)F)c2C)on1
InChIInChI=1S/C14H16F3N3O2/c1-8-4-11(22-19-8)6-18-13(21)12-5-9(2)20(10(12)3)7-14(15,16)17/h4-5H,6-7H2,1-3H3,(H,18,21)
InChIKeyNOCHNUAPUZGEIZ-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.89
Rot. Bonds4

About 2,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide

2,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide (PubChem CID 48733614) has the molecular formula C14H16F3N3O2 and a molecular weight of 315.30 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide
PubChem CID48733614
Molecular FormulaC14H16F3N3O2
Molecular Weight315.30 g/mol
Exact Mass315.12
IUPAC Name2,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide
SMILESCc1cc(CNC(=O)c2cc(C)n(CC(F)(F)F)c2C)on1
InChIInChI=1S/C14H16F3N3O2/c1-8-4-11(22-19-8)6-18-13(21)12-5-9(2)20(10(12)3)7-14(15,16)17/h4-5H,6-7H2,1-3H3,(H,18,21)
InChIKeyNOCHNUAPUZGEIZ-UHFFFAOYSA-N
XLogP2.89
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide (CID 48733614) is 2,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide is Cc1cc(CNC(=O)c2cc(C)n(CC(F)(F)F)c2C)on1.
What is the InChIKey of 2,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide?
The InChIKey is NOCHNUAPUZGEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2/c1-8-4-11(22-19-8)6-18-13(21)12-5-9(2)20(10(12)3)7-14(15,16)17/h4-5H,6-7H2,1-3H3,(H,18,21).
What are the key properties of 2,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide?
2,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide has a molecular weight of 315.30 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 48733614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).