1-[3-[7-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

C19H14F3N5O2 — CID 59320871

IUPAC1-[3-[7-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4cnco4)ccn23)c1
InChIInChI=1S/C19H14F3N5O2/c20-19(21,22)10-25-18(28)26-14-3-1-2-12(6-14)15-8-24-17-7-13(4-5-27(15)17)16-9-23-11-29-16/h1-9,11H,10H2,(H2,25,26,28)
InChIKeyPHAPBFCBEMINKD-UHFFFAOYSA-N
MW401.35 g/mol
LogP4.34
Rot. Bonds4

About 1-[3-[7-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

1-[3-[7-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 59320871) has the molecular formula C19H14F3N5O2 and a molecular weight of 401.35 g/mol. Its IUPAC name is 1-[3-[7-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[3-[7-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID59320871
Molecular FormulaC19H14F3N5O2
Molecular Weight401.35 g/mol
Exact Mass401.11
IUPAC Name1-[3-[7-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4cnco4)ccn23)c1
InChIInChI=1S/C19H14F3N5O2/c20-19(21,22)10-25-18(28)26-14-3-1-2-12(6-14)15-8-24-17-7-13(4-5-27(15)17)16-9-23-11-29-16/h1-9,11H,10H2,(H2,25,26,28)
InChIKeyPHAPBFCBEMINKD-UHFFFAOYSA-N
XLogP4.34
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.35
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(Oxazol-5-yl)phenylamino]-6-(3-acetamidophenyl)pyrazine
CID 11574273
1-Cyclopropyl-3-[3-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea
CID 44548395
1-{3-[7-(5-Methyl-[1,3,4]oxadiazol-2-yl)-imidazo[1,2-a]pyridin-3-yl]-phenyl}-3-(2,2,2-trifluoro-ethyl)-urea
CID 56589627
[3-[7-(5-Methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea
CID 68169965
US10035777, Example 104
CID 118880563
US10035777, Example 105
CID 118880578
US10035777, Example 36
CID 118880633
US11066396, Example 360
CID 132258851
Morpholin-4-yl-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 118378883
N-[4-fluoro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-methylpyrrole-2-carboxamide
CID 76328763
(7-cyclopentyl-6-oxazol-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-(5-piperazin-1-yl-pyridin-2-yl)-amine
CID 58315417
US10202370, Example 054
CID 90466960

Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[3-[7-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (CID 59320871) is 1-[3-[7-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[3-[7-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[3-[7-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4cnco4)ccn23)c1.
What is the InChIKey of 1-[3-[7-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is PHAPBFCBEMINKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O2/c20-19(21,22)10-25-18(28)26-14-3-1-2-12(6-14)15-8-24-17-7-13(4-5-27(15)17)16-9-23-11-29-16/h1-9,11H,10H2,(H2,25,26,28).
What are the key properties of 1-[3-[7-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
1-[3-[7-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 401.35 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 59320871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).