2-[1-[[2-(2-chlorophenyl)-5-(hydroxymethyl)-1,3-oxazol-4-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C23H17ClF6N2O3 — CID 11548102

IUPAC2-[1-[[2-(2-chlorophenyl)-5-(hydroxymethyl)-1,3-oxazol-4-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCc1cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2n1Cc1nc(-c2ccccc2Cl)oc1CO
InChIInChI=1S/C23H17ClF6N2O3/c1-12-8-13-9-14(21(34,22(25,26)27)23(28,29)30)6-7-18(13)32(12)10-17-19(11-33)35-20(31-17)15-4-2-3-5-16(15)24/h2-9,33-34H,10-11H2,1H3
InChIKeyFSUKVQVCZZXHDO-UHFFFAOYSA-N
MW518.84 g/mol
LogP6.11
Rot. Bonds5

About 2-[1-[[2-(2-chlorophenyl)-5-(hydroxymethyl)-1,3-oxazol-4-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[1-[[2-(2-chlorophenyl)-5-(hydroxymethyl)-1,3-oxazol-4-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 11548102) has the molecular formula C23H17ClF6N2O3 and a molecular weight of 518.84 g/mol. Its IUPAC name is 2-[1-[[2-(2-chlorophenyl)-5-(hydroxymethyl)-1,3-oxazol-4-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[1-[[2-(2-chlorophenyl)-5-(hydroxymethyl)-1,3-oxazol-4-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID11548102
Molecular FormulaC23H17ClF6N2O3
Molecular Weight518.84 g/mol
Exact Mass518.08
IUPAC Name2-[1-[[2-(2-chlorophenyl)-5-(hydroxymethyl)-1,3-oxazol-4-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCc1cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2n1Cc1nc(-c2ccccc2Cl)oc1CO
InChIInChI=1S/C23H17ClF6N2O3/c1-12-8-13-9-14(21(34,22(25,26)27)23(28,29)30)6-7-18(13)32(12)10-17-19(11-33)35-20(31-17)15-4-2-3-5-16(15)24/h2-9,33-34H,10-11H2,1H3
InChIKeyFSUKVQVCZZXHDO-UHFFFAOYSA-N
XLogP6.11
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.84
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-[[2-(2-chlorophenyl)-5-(hydroxymethyl)-1,3-oxazol-4-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(2-chlorophenyl)-5-(hydroxymethyl)-1,3-oxazol-4-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[1-[[2-(2-chlorophenyl)-5-(hydroxymethyl)-1,3-oxazol-4-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 11548102) is 2-[1-[[2-(2-chlorophenyl)-5-(hydroxymethyl)-1,3-oxazol-4-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[1-[[2-(2-chlorophenyl)-5-(hydroxymethyl)-1,3-oxazol-4-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[1-[[2-(2-chlorophenyl)-5-(hydroxymethyl)-1,3-oxazol-4-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is Cc1cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2n1Cc1nc(-c2ccccc2Cl)oc1CO.
What is the InChIKey of 2-[1-[[2-(2-chlorophenyl)-5-(hydroxymethyl)-1,3-oxazol-4-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is FSUKVQVCZZXHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF6N2O3/c1-12-8-13-9-14(21(34,22(25,26)27)23(28,29)30)6-7-18(13)32(12)10-17-19(11-33)35-20(31-17)15-4-2-3-5-16(15)24/h2-9,33-34H,10-11H2,1H3.
What are the key properties of 2-[1-[[2-(2-chlorophenyl)-5-(hydroxymethyl)-1,3-oxazol-4-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[1-[[2-(2-chlorophenyl)-5-(hydroxymethyl)-1,3-oxazol-4-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 518.84 g/mol, XLogP of 6.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(2-chlorophenyl)-5-(hydroxymethyl)-1,3-oxazol-4-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 11548102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).