N-[4-fluoro-3-[6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,2-dimethyl-5H-1,3-oxazole-5-carboxamide

C19H15F4N5O2 — CID 123695711

IUPACN-[4-fluoro-3-[6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,2-dimethyl-5H-1,3-oxazole-5-carboxamide
SMILESCC1(C)N=CC(C(=O)Nc2ccc(F)c(-c3cn4cc(C(F)(F)F)cnc4n3)c2)O1
InChIInChI=1S/C19H15F4N5O2/c1-18(2)25-7-15(30-18)16(29)26-11-3-4-13(20)12(5-11)14-9-28-8-10(19(21,22)23)6-24-17(28)27-14/h3-9,15H,1-2H3,(H,26,29)
InChIKeyUEXUUEUOSRPXSK-UHFFFAOYSA-N
MW421.35 g/mol
LogP3.70
Rot. Bonds3

About N-[4-fluoro-3-[6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,2-dimethyl-5H-1,3-oxazole-5-carboxamide

N-[4-fluoro-3-[6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,2-dimethyl-5H-1,3-oxazole-5-carboxamide (PubChem CID 123695711) has the molecular formula C19H15F4N5O2 and a molecular weight of 421.35 g/mol. Its IUPAC name is N-[4-fluoro-3-[6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,2-dimethyl-5H-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-[6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,2-dimethyl-5H-1,3-oxazole-5-carboxamide
PubChem CID123695711
Molecular FormulaC19H15F4N5O2
Molecular Weight421.35 g/mol
Exact Mass421.12
IUPAC NameN-[4-fluoro-3-[6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,2-dimethyl-5H-1,3-oxazole-5-carboxamide
SMILESCC1(C)N=CC(C(=O)Nc2ccc(F)c(-c3cn4cc(C(F)(F)F)cnc4n3)c2)O1
InChIInChI=1S/C19H15F4N5O2/c1-18(2)25-7-15(30-18)16(29)26-11-3-4-13(20)12(5-11)14-9-28-8-10(19(21,22)23)6-24-17(28)27-14/h3-9,15H,1-2H3,(H,26,29)
InChIKeyUEXUUEUOSRPXSK-UHFFFAOYSA-N
XLogP3.70
TPSA80.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[6-(cyclopentanecarbonylamino)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide
CID 159449093
3-fluoro-N-[4-fluoro-3-[6-(propan-2-ylamino)imidazo[1,2-a]pyrimidin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 123265101
propan-2-yl N-[2-[2-fluoro-5-[(3-hydroxyazetidine-1-carbonyl)amino]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate
CID 118875171
N-[4-fluoro-3-[6-[(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)amino]imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 86296181
propan-2-yl N-[2-(2-fluoro-5-nitrosophenyl)imidazo[1,2-a]pyrimidin-6-yl]carbamate
CID 123921850
N-[4-fluoro-3-[6-(3-methylimidazol-4-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 118875238
propan-2-yl N-[2-[2-fluoro-5-(1,3-thiazole-5-carbonylamino)phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate
CID 86295754
N-[3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-5-carboxamide
CID 118875214
benzyl N-[2-(5-amino-2-fluorophenyl)imidazo[1,2-a]pyrimidin-6-yl]carbamate;methane;molecular hydrogen
CID 144717991
tert-butyl 4-[2-[5-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]piperidine-1-carboxylate;N-[4-fluoro-3-(6-piperidin-4-ylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 158825973
N-[4-fluoro-3-(3-morpholin-4-ylimidazo[1,2-a]pyrimidin-7-yl)phenyl]-3-methyl-1,2-dihydroazete-2-carboxamide
CID 126571948
acetaldehyde;3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluoro-N-methylaniline
CID 144718161

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,2-dimethyl-5H-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[4-fluoro-3-[6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,2-dimethyl-5H-1,3-oxazole-5-carboxamide (CID 123695711) is N-[4-fluoro-3-[6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,2-dimethyl-5H-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-[6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,2-dimethyl-5H-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[4-fluoro-3-[6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,2-dimethyl-5H-1,3-oxazole-5-carboxamide is CC1(C)N=CC(C(=O)Nc2ccc(F)c(-c3cn4cc(C(F)(F)F)cnc4n3)c2)O1.
What is the InChIKey of N-[4-fluoro-3-[6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,2-dimethyl-5H-1,3-oxazole-5-carboxamide?
The InChIKey is UEXUUEUOSRPXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N5O2/c1-18(2)25-7-15(30-18)16(29)26-11-3-4-13(20)12(5-11)14-9-28-8-10(19(21,22)23)6-24-17(28)27-14/h3-9,15H,1-2H3,(H,26,29).
What are the key properties of N-[4-fluoro-3-[6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,2-dimethyl-5H-1,3-oxazole-5-carboxamide?
N-[4-fluoro-3-[6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,2-dimethyl-5H-1,3-oxazole-5-carboxamide has a molecular weight of 421.35 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,2-dimethyl-5H-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 123695711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).