7-cyclopropyl-3-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-one

C19H13F3N4O2 — CID 171099038

IUPAC7-cyclopropyl-3-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-one
SMILESO=c1nc2c(ccn2C2CC2)cn1-c1ncoc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H13F3N4O2/c20-19(21,22)13-3-1-11(2-4-13)15-17(23-10-28-15)26-9-12-7-8-25(14-5-6-14)16(12)24-18(26)27/h1-4,7-10,14H,5-6H2
InChIKeyCKOVGVFNNDSURP-UHFFFAOYSA-N
MW386.33 g/mol
LogP4.20
Rot. Bonds3

About 7-cyclopropyl-3-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-one

7-cyclopropyl-3-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-one (PubChem CID 171099038) has the molecular formula C19H13F3N4O2 and a molecular weight of 386.33 g/mol. Its IUPAC name is 7-cyclopropyl-3-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name7-cyclopropyl-3-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-one
PubChem CID171099038
Molecular FormulaC19H13F3N4O2
Molecular Weight386.33 g/mol
Exact Mass386.10
IUPAC Name7-cyclopropyl-3-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-one
SMILESO=c1nc2c(ccn2C2CC2)cn1-c1ncoc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H13F3N4O2/c20-19(21,22)13-3-1-11(2-4-13)15-17(23-10-28-15)26-9-12-7-8-25(14-5-6-14)16(12)24-18(26)27/h1-4,7-10,14H,5-6H2
InChIKeyCKOVGVFNNDSURP-UHFFFAOYSA-N
XLogP4.20
TPSA65.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1,2,4-triazol-1-yl)-1-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrimidin-2-one
CID 177328694
1-cyclopentyl-5-[4-(trifluoromethyl)phenyl]indole
CID 174559185
methyl 5-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate
CID 54540338
4-cyclopropyl-1-[2-(1-methylisoquinolin-6-yl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrimidin-2-one
CID 177328715
3-cyclopropyl-5-fluoro-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one
CID 169259165
4-[(1S,2R)-2-fluorocyclopropyl]-1-[2-(1-methylisoquinolin-6-yl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrimidin-2-one
CID 177328682
1-piperidin-4-yl-5-(trifluoromethyl)indole
CID 69272236
5-cyclobutyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2781838
6-oxa-2-azabicyclo[3.2.1]octan-2-yl-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methanone
CID 166280582
4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 91014486
formic acid;5-methyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 142599993
1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 58079421

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-3-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-one?
The IUPAC name of 7-cyclopropyl-3-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-one (CID 171099038) is 7-cyclopropyl-3-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 7-cyclopropyl-3-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 7-cyclopropyl-3-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-one is O=c1nc2c(ccn2C2CC2)cn1-c1ncoc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 7-cyclopropyl-3-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-one?
The InChIKey is CKOVGVFNNDSURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O2/c20-19(21,22)13-3-1-11(2-4-13)15-17(23-10-28-15)26-9-12-7-8-25(14-5-6-14)16(12)24-18(26)27/h1-4,7-10,14H,5-6H2.
What are the key properties of 7-cyclopropyl-3-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-one?
7-cyclopropyl-3-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-one has a molecular weight of 386.33 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-3-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 171099038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).