N-[3-[(2R)-1-(4-methyl-1,2-oxazol-3-yl)propan-2-yl]phenyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide

C19H17F3N4O2 — CID 139349582

IUPACN-[3-[(2R)-1-(4-methyl-1,2-oxazol-3-yl)propan-2-yl]phenyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCc1conc1C[C@@H](C)c1cccc(NC(=O)c2ccnc(C(F)(F)F)n2)c1
InChIInChI=1S/C19H17F3N4O2/c1-11(8-16-12(2)10-28-26-16)13-4-3-5-14(9-13)24-17(27)15-6-7-23-18(25-15)19(20,21)22/h3-7,9-11H,8H2,1-2H3,(H,24,27)/t11-/m1/s1
InChIKeyMIPDBPLAUQFPGS-LLVKDONJSA-N
MW390.37 g/mol
LogP4.39
Rot. Bonds5

About N-[3-[(2R)-1-(4-methyl-1,2-oxazol-3-yl)propan-2-yl]phenyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide

N-[3-[(2R)-1-(4-methyl-1,2-oxazol-3-yl)propan-2-yl]phenyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide (PubChem CID 139349582) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is N-[3-[(2R)-1-(4-methyl-1,2-oxazol-3-yl)propan-2-yl]phenyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(2R)-1-(4-methyl-1,2-oxazol-3-yl)propan-2-yl]phenyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide
PubChem CID139349582
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC NameN-[3-[(2R)-1-(4-methyl-1,2-oxazol-3-yl)propan-2-yl]phenyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCc1conc1C[C@@H](C)c1cccc(NC(=O)c2ccnc(C(F)(F)F)n2)c1
InChIInChI=1S/C19H17F3N4O2/c1-11(8-16-12(2)10-28-26-16)13-4-3-5-14(9-13)24-17(27)15-6-7-23-18(25-15)19(20,21)22/h3-7,9-11H,8H2,1-2H3,(H,24,27)/t11-/m1/s1
InChIKeyMIPDBPLAUQFPGS-LLVKDONJSA-N
XLogP4.39
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-1-(4-methyl-1,2-oxazol-3-yl)propan-2-yl]phenyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The IUPAC name of N-[3-[(2R)-1-(4-methyl-1,2-oxazol-3-yl)propan-2-yl]phenyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide (CID 139349582) is N-[3-[(2R)-1-(4-methyl-1,2-oxazol-3-yl)propan-2-yl]phenyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[3-[(2R)-1-(4-methyl-1,2-oxazol-3-yl)propan-2-yl]phenyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-[3-[(2R)-1-(4-methyl-1,2-oxazol-3-yl)propan-2-yl]phenyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide is Cc1conc1C[C@@H](C)c1cccc(NC(=O)c2ccnc(C(F)(F)F)n2)c1.
What is the InChIKey of N-[3-[(2R)-1-(4-methyl-1,2-oxazol-3-yl)propan-2-yl]phenyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The InChIKey is MIPDBPLAUQFPGS-LLVKDONJSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-11(8-16-12(2)10-28-26-16)13-4-3-5-14(9-13)24-17(27)15-6-7-23-18(25-15)19(20,21)22/h3-7,9-11H,8H2,1-2H3,(H,24,27)/t11-/m1/s1.
What are the key properties of N-[3-[(2R)-1-(4-methyl-1,2-oxazol-3-yl)propan-2-yl]phenyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide?
N-[3-[(2R)-1-(4-methyl-1,2-oxazol-3-yl)propan-2-yl]phenyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide has a molecular weight of 390.37 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-1-(4-methyl-1,2-oxazol-3-yl)propan-2-yl]phenyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 139349582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).