(3-methyl-1,2-oxazol-4-yl)-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]amino]methanol

C20H17F3N4O2 — CID 135277935

IUPAC(3-methyl-1,2-oxazol-4-yl)-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]amino]methanol
SMILESCc1nocc1C(O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C20H17F3N4O2/c1-12-16(11-29-26-12)19(28)24-18-15-4-2-3-5-17(15)27(25-18)10-13-6-8-14(9-7-13)20(21,22)23/h2-9,11,19,28H,10H2,1H3,(H,24,25)
InChIKeyCZOVNMULIHHFER-UHFFFAOYSA-N
MW402.38 g/mol
LogP4.50
Rot. Bonds5

About (3-methyl-1,2-oxazol-4-yl)-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]amino]methanol

(3-methyl-1,2-oxazol-4-yl)-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]amino]methanol (PubChem CID 135277935) has the molecular formula C20H17F3N4O2 and a molecular weight of 402.38 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-4-yl)-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]amino]methanol.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-4-yl)-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]amino]methanol
PubChem CID135277935
Molecular FormulaC20H17F3N4O2
Molecular Weight402.38 g/mol
Exact Mass402.13
IUPAC Name(3-methyl-1,2-oxazol-4-yl)-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]amino]methanol
SMILESCc1nocc1C(O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C20H17F3N4O2/c1-12-16(11-29-26-12)19(28)24-18-15-4-2-3-5-17(15)27(25-18)10-13-6-8-14(9-7-13)20(21,22)23/h2-9,11,19,28H,10H2,1H3,(H,24,25)
InChIKeyCZOVNMULIHHFER-UHFFFAOYSA-N
XLogP4.50
TPSA76.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.38
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
CID 118335369
N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
CID 118335374
3-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide
CID 118335376
3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide
CID 118335403
3-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide
CID 118335498
3-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide
CID 118335578
3-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide
CID 118453546
N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
CID 118453551
N-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
CID 118466754
N-[1-[[4-(fluoromethyl)phenyl]methyl]-7-(trifluoromethyl)indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
CID 118466767
N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
CID 126603602
N-[1-[[4-(fluoromethyl)phenyl]methyl]-5-(trifluoromethyl)indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
CID 129203020

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-4-yl)-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]amino]methanol?
The IUPAC name of (3-methyl-1,2-oxazol-4-yl)-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]amino]methanol (CID 135277935) is (3-methyl-1,2-oxazol-4-yl)-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]amino]methanol.
What is the SMILES notation for (3-methyl-1,2-oxazol-4-yl)-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]amino]methanol?
The canonical SMILES for (3-methyl-1,2-oxazol-4-yl)-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]amino]methanol is Cc1nocc1C(O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.
What is the InChIKey of (3-methyl-1,2-oxazol-4-yl)-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]amino]methanol?
The InChIKey is CZOVNMULIHHFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O2/c1-12-16(11-29-26-12)19(28)24-18-15-4-2-3-5-17(15)27(25-18)10-13-6-8-14(9-7-13)20(21,22)23/h2-9,11,19,28H,10H2,1H3,(H,24,25).
What are the key properties of (3-methyl-1,2-oxazol-4-yl)-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]amino]methanol?
(3-methyl-1,2-oxazol-4-yl)-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]amino]methanol has a molecular weight of 402.38 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-4-yl)-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]amino]methanol is sourced from PubChem (CID 135277935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).