2-[3-[(2R)-1-(1,3-oxazol-2-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-1,3-dihydroisoindol-1-ol

C21H19F3N2O2 — CID 139360357

IUPAC2-[3-[(2R)-1-(1,3-oxazol-2-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-1,3-dihydroisoindol-1-ol
SMILESC[C@H](Cc1ncco1)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2O)c1
InChIInChI=1S/C21H19F3N2O2/c1-13(10-19-25-8-9-28-19)14-4-2-5-15(11-14)26-12-17-16(20(26)27)6-3-7-18(17)21(22,23)24/h2-9,11,13,20,27H,10,12H2,1H3/t13-,20?/m1/s1
InChIKeyRHQGGKPDRJZRAQ-CRIUFTBBSA-N
MW388.39 g/mol
LogP5.05
Rot. Bonds4

About 2-[3-[(2R)-1-(1,3-oxazol-2-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-1,3-dihydroisoindol-1-ol

2-[3-[(2R)-1-(1,3-oxazol-2-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-1,3-dihydroisoindol-1-ol (PubChem CID 139360357) has the molecular formula C21H19F3N2O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is 2-[3-[(2R)-1-(1,3-oxazol-2-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-1,3-dihydroisoindol-1-ol.

Molecular Properties

Compound Name2-[3-[(2R)-1-(1,3-oxazol-2-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-1,3-dihydroisoindol-1-ol
PubChem CID139360357
Molecular FormulaC21H19F3N2O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC Name2-[3-[(2R)-1-(1,3-oxazol-2-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-1,3-dihydroisoindol-1-ol
SMILESC[C@H](Cc1ncco1)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2O)c1
InChIInChI=1S/C21H19F3N2O2/c1-13(10-19-25-8-9-28-19)14-4-2-5-15(11-14)26-12-17-16(20(26)27)6-3-7-18(17)21(22,23)24/h2-9,11,13,20,27H,10,12H2,1H3/t13-,20?/m1/s1
InChIKeyRHQGGKPDRJZRAQ-CRIUFTBBSA-N
XLogP5.05
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.39
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2R)-1-(1,3-oxazol-2-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-1,3-dihydroisoindol-1-ol?
The IUPAC name of 2-[3-[(2R)-1-(1,3-oxazol-2-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-1,3-dihydroisoindol-1-ol (CID 139360357) is 2-[3-[(2R)-1-(1,3-oxazol-2-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-1,3-dihydroisoindol-1-ol.
What is the SMILES notation for 2-[3-[(2R)-1-(1,3-oxazol-2-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-1,3-dihydroisoindol-1-ol?
The canonical SMILES for 2-[3-[(2R)-1-(1,3-oxazol-2-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-1,3-dihydroisoindol-1-ol is C[C@H](Cc1ncco1)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2O)c1.
What is the InChIKey of 2-[3-[(2R)-1-(1,3-oxazol-2-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-1,3-dihydroisoindol-1-ol?
The InChIKey is RHQGGKPDRJZRAQ-CRIUFTBBSA-N. The full InChI is InChI=1S/C21H19F3N2O2/c1-13(10-19-25-8-9-28-19)14-4-2-5-15(11-14)26-12-17-16(20(26)27)6-3-7-18(17)21(22,23)24/h2-9,11,13,20,27H,10,12H2,1H3/t13-,20?/m1/s1.
What are the key properties of 2-[3-[(2R)-1-(1,3-oxazol-2-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-1,3-dihydroisoindol-1-ol?
2-[3-[(2R)-1-(1,3-oxazol-2-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-1,3-dihydroisoindol-1-ol has a molecular weight of 388.39 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2R)-1-(1,3-oxazol-2-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-1,3-dihydroisoindol-1-ol is sourced from PubChem (CID 139360357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).