5-[[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1H-indol-3-ol

C19H14F3N3O2 — CID 152579822

IUPAC5-[[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1H-indol-3-ol
SMILESCc1nc(Nc2ccc3[nH]cc(O)c3c2)oc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H14F3N3O2/c1-10-17(11-2-4-12(5-3-11)19(20,21)22)27-18(24-10)25-13-6-7-15-14(8-13)16(26)9-23-15/h2-9,23,26H,1H3,(H,24,25)
InChIKeyYTFWOJCCUVAPQH-UHFFFAOYSA-N
MW373.33 g/mol
LogP5.60
Rot. Bonds3

About 5-[[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1H-indol-3-ol

5-[[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1H-indol-3-ol (PubChem CID 152579822) has the molecular formula C19H14F3N3O2 and a molecular weight of 373.33 g/mol. Its IUPAC name is 5-[[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1H-indol-3-ol.

Molecular Properties

Compound Name5-[[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1H-indol-3-ol
PubChem CID152579822
Molecular FormulaC19H14F3N3O2
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC Name5-[[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1H-indol-3-ol
SMILESCc1nc(Nc2ccc3[nH]cc(O)c3c2)oc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H14F3N3O2/c1-10-17(11-2-4-12(5-3-11)19(20,21)22)27-18(24-10)25-13-6-7-15-14(8-13)16(26)9-23-15/h2-9,23,26H,1H3,(H,24,25)
InChIKeyYTFWOJCCUVAPQH-UHFFFAOYSA-N
XLogP5.60
TPSA74.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.33
LogP ≤ 55.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylic acid
CID 155585171
3-[[5-(2-methyl-1,3-thiazol-5-yl)-1H-indol-3-yl]amino]-4-[4-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione
CID 155725359
2-methyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 57159559
5-hydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1H-pyridin-4-one
CID 155585282
2-methyl-1-[5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol
CID 117195432
1-[5-[[4-[4-[[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1H-indol-3-yl]-2,2,2-trifluoroethanone
CID 71699249
2,6-dimethyl-N-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430726
7-(1H-indol-5-yl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine
CID 45484856
5-fluoro-1H-indol-3-ol
CID 90083452
N-methyl-1-[(2S)-2-[5-(trifluoromethyl)-1H-indol-3-yl]cyclopropyl]methanamine
CID 142174206
2-methyl-5-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol
CID 44532338
methyl 4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylate
CID 115050494

Frequently Asked Questions

What is the IUPAC name of 5-[[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1H-indol-3-ol?
The IUPAC name of 5-[[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1H-indol-3-ol (CID 152579822) is 5-[[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1H-indol-3-ol.
What is the SMILES notation for 5-[[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1H-indol-3-ol?
The canonical SMILES for 5-[[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1H-indol-3-ol is Cc1nc(Nc2ccc3[nH]cc(O)c3c2)oc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-[[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1H-indol-3-ol?
The InChIKey is YTFWOJCCUVAPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2/c1-10-17(11-2-4-12(5-3-11)19(20,21)22)27-18(24-10)25-13-6-7-15-14(8-13)16(26)9-23-15/h2-9,23,26H,1H3,(H,24,25).
What are the key properties of 5-[[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1H-indol-3-ol?
5-[[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1H-indol-3-ol has a molecular weight of 373.33 g/mol, XLogP of 5.60, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1H-indol-3-ol is sourced from PubChem (CID 152579822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).