2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(3-hydroxypropylsulfonyl)phenyl]-2-pyridinyl]methyl]acetamide

C28H25FN4O5S — CID 121272663

IUPAC2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(3-hydroxypropylsulfonyl)phenyl]-2-pyridinyl]methyl]acetamide
SMILESO=C(Cn1c(-c2ncco2)cc2cc(F)ccc21)NCc1ccc(-c2ccc(S(=O)(=O)CCCO)cc2)cn1
InChIInChI=1S/C28H25FN4O5S/c29-22-5-9-25-21(14-22)15-26(28-30-10-12-38-28)33(25)18-27(35)32-17-23-6-2-20(16-31-23)19-3-7-24(8-4-19)39(36,37)13-1-11-34/h2-10,12,14-16,34H,1,11,13,17-18H2,(H,32,35)
InChIKeyHUTLGJLTXBEFOZ-UHFFFAOYSA-N
MW548.60 g/mol
LogP3.97
Rot. Bonds10

About 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(3-hydroxypropylsulfonyl)phenyl]-2-pyridinyl]methyl]acetamide

2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(3-hydroxypropylsulfonyl)phenyl]-2-pyridinyl]methyl]acetamide (PubChem CID 121272663) has the molecular formula C28H25FN4O5S and a molecular weight of 548.60 g/mol. Its IUPAC name is 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(3-hydroxypropylsulfonyl)phenyl]-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(3-hydroxypropylsulfonyl)phenyl]-2-pyridinyl]methyl]acetamide
PubChem CID121272663
Molecular FormulaC28H25FN4O5S
Molecular Weight548.60 g/mol
Exact Mass548.15
IUPAC Name2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(3-hydroxypropylsulfonyl)phenyl]-2-pyridinyl]methyl]acetamide
SMILESO=C(Cn1c(-c2ncco2)cc2cc(F)ccc21)NCc1ccc(-c2ccc(S(=O)(=O)CCCO)cc2)cn1
InChIInChI=1S/C28H25FN4O5S/c29-22-5-9-25-21(14-22)15-26(28-30-10-12-38-28)33(25)18-27(35)32-17-23-6-2-20(16-31-23)19-3-7-24(8-4-19)39(36,37)13-1-11-34/h2-10,12,14-16,34H,1,11,13,17-18H2,(H,32,35)
InChIKeyHUTLGJLTXBEFOZ-UHFFFAOYSA-N
XLogP3.97
TPSA127.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.60
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(3-hydroxypropylsulfonyl)phenyl]-2-pyridinyl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(3-hydroxypropylsulfonyl)phenyl]-2-pyridinyl]methyl]acetamide?
The IUPAC name of 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(3-hydroxypropylsulfonyl)phenyl]-2-pyridinyl]methyl]acetamide (CID 121272663) is 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(3-hydroxypropylsulfonyl)phenyl]-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(3-hydroxypropylsulfonyl)phenyl]-2-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(3-hydroxypropylsulfonyl)phenyl]-2-pyridinyl]methyl]acetamide is O=C(Cn1c(-c2ncco2)cc2cc(F)ccc21)NCc1ccc(-c2ccc(S(=O)(=O)CCCO)cc2)cn1.
What is the InChIKey of 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(3-hydroxypropylsulfonyl)phenyl]-2-pyridinyl]methyl]acetamide?
The InChIKey is HUTLGJLTXBEFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN4O5S/c29-22-5-9-25-21(14-22)15-26(28-30-10-12-38-28)33(25)18-27(35)32-17-23-6-2-20(16-31-23)19-3-7-24(8-4-19)39(36,37)13-1-11-34/h2-10,12,14-16,34H,1,11,13,17-18H2,(H,32,35).
What are the key properties of 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(3-hydroxypropylsulfonyl)phenyl]-2-pyridinyl]methyl]acetamide?
2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(3-hydroxypropylsulfonyl)phenyl]-2-pyridinyl]methyl]acetamide has a molecular weight of 548.60 g/mol, XLogP of 3.97, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(3-hydroxypropylsulfonyl)phenyl]-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 121272663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).