1-fluoro-2-[2-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-5-yl]propan-2-ol

C23H23FN2O2 — CID 141125686

IUPAC1-fluoro-2-[2-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-5-yl]propan-2-ol
SMILESCc1oc(-c2ccccc2)nc1Cn1c(C)cc2cc(C(C)(O)CF)ccc21
InChIInChI=1S/C23H23FN2O2/c1-15-11-18-12-19(23(3,27)14-24)9-10-21(18)26(15)13-20-16(2)28-22(25-20)17-7-5-4-6-8-17/h4-12,27H,13-14H2,1-3H3
InChIKeyVCLNWVYMTJRMJP-UHFFFAOYSA-N
MW378.45 g/mol
LogP5.14
Rot. Bonds5

About 1-fluoro-2-[2-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-5-yl]propan-2-ol

1-fluoro-2-[2-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-5-yl]propan-2-ol (PubChem CID 141125686) has the molecular formula C23H23FN2O2 and a molecular weight of 378.45 g/mol. Its IUPAC name is 1-fluoro-2-[2-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1-fluoro-2-[2-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-5-yl]propan-2-ol
PubChem CID141125686
Molecular FormulaC23H23FN2O2
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC Name1-fluoro-2-[2-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-5-yl]propan-2-ol
SMILESCc1oc(-c2ccccc2)nc1Cn1c(C)cc2cc(C(C)(O)CF)ccc21
InChIInChI=1S/C23H23FN2O2/c1-15-11-18-12-19(23(3,27)14-24)9-10-21(18)26(15)13-20-16(2)28-22(25-20)17-7-5-4-6-8-17/h4-12,27H,13-14H2,1-3H3
InChIKeyVCLNWVYMTJRMJP-UHFFFAOYSA-N
XLogP5.14
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.45
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-fluoro-2-[2-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-5-yl]propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

2-[1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11627507
4-[4-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylindol-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]benzaldehyde
CID 21082219
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
5-methyl-2-phenyl-4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-oxazole
CID 24623437
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanamine
CID 15616431
1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-2,3-dihydroindol-5-yl]propan-2-ol
CID 11496479
1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-methylpropyl)quinazoline-2,4-dione
CID 95917380
(3S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol
CID 95348668
5-methyl-4-[(4-phenylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 175236922
1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-ol
CID 110883667
2-methyl-1-[(4-phenylphenyl)methyl]indol-5-ol
CID 139659856
N-benzyl-N-methyl-2-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]sulfanylacetamide
CID 46347392

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[2-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-5-yl]propan-2-ol?
The IUPAC name of 1-fluoro-2-[2-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-5-yl]propan-2-ol (CID 141125686) is 1-fluoro-2-[2-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-5-yl]propan-2-ol.
What is the SMILES notation for 1-fluoro-2-[2-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-5-yl]propan-2-ol?
The canonical SMILES for 1-fluoro-2-[2-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-5-yl]propan-2-ol is Cc1oc(-c2ccccc2)nc1Cn1c(C)cc2cc(C(C)(O)CF)ccc21.
What is the InChIKey of 1-fluoro-2-[2-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-5-yl]propan-2-ol?
The InChIKey is VCLNWVYMTJRMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2/c1-15-11-18-12-19(23(3,27)14-24)9-10-21(18)26(15)13-20-16(2)28-22(25-20)17-7-5-4-6-8-17/h4-12,27H,13-14H2,1-3H3.
What are the key properties of 1-fluoro-2-[2-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-5-yl]propan-2-ol?
1-fluoro-2-[2-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-5-yl]propan-2-ol has a molecular weight of 378.45 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[2-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-5-yl]propan-2-ol is sourced from PubChem (CID 141125686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).