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

C26H19FN8O2 — CID 121272660

IUPAC2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]acetamide
SMILESO=C(Cn1c(-c2ncco2)cc2cc(F)ccc21)NCc1ccc(-c2ccc(-c3nn[nH]n3)cc2)cn1
InChIInChI=1S/C26H19FN8O2/c27-20-6-8-22-19(11-20)12-23(26-28-9-10-37-26)35(22)15-24(36)30-14-21-7-5-18(13-29-21)16-1-3-17(4-2-16)25-31-33-34-32-25/h1-13H,14-15H2,(H,30,36)(H,31,32,33,34)
InChIKeyAPGLMVIVIUHKNT-UHFFFAOYSA-N
MW494.49 g/mol
LogP3.99
Rot. Bonds7

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

2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]acetamide (PubChem CID 121272660) has the molecular formula C26H19FN8O2 and a molecular weight of 494.49 g/mol. Its IUPAC name is 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]acetamide
PubChem CID121272660
Molecular FormulaC26H19FN8O2
Molecular Weight494.49 g/mol
Exact Mass494.16
IUPAC Name2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]acetamide
SMILESO=C(Cn1c(-c2ncco2)cc2cc(F)ccc21)NCc1ccc(-c2ccc(-c3nn[nH]n3)cc2)cn1
InChIInChI=1S/C26H19FN8O2/c27-20-6-8-22-19(11-20)12-23(26-28-9-10-37-26)35(22)15-24(36)30-14-21-7-5-18(13-29-21)16-1-3-17(4-2-16)25-31-33-34-32-25/h1-13H,14-15H2,(H,30,36)(H,31,32,33,34)
InChIKeyAPGLMVIVIUHKNT-UHFFFAOYSA-N
XLogP3.99
TPSA127.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.49
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

CID 121272655
CID 121272655
CID 137657779
CID 137657779
CID 137660998
CID 137660998
CID 117864917
CID 117864917
CID 117865296
CID 117865296
CID 121272512
CID 121272512
CID 121272605
CID 121272605
CID 121272607
CID 121272607
CID 121272619
CID 121272619
CID 121272650
CID 121272650
CID 121272669
CID 121272669
CID 121272673
CID 121272673

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]acetamide?
The IUPAC name of 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]acetamide (CID 121272660) is 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(2H-tetrazol-5-yl)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-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]acetamide is O=C(Cn1c(-c2ncco2)cc2cc(F)ccc21)NCc1ccc(-c2ccc(-c3nn[nH]n3)cc2)cn1.
What is the InChIKey of 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]acetamide?
The InChIKey is APGLMVIVIUHKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN8O2/c27-20-6-8-22-19(11-20)12-23(26-28-9-10-37-26)35(22)15-24(36)30-14-21-7-5-18(13-29-21)16-1-3-17(4-2-16)25-31-33-34-32-25/h1-13H,14-15H2,(H,30,36)(H,31,32,33,34).
What are the key properties of 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]acetamide?
2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]acetamide has a molecular weight of 494.49 g/mol, XLogP of 3.99, 7 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-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 121272660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).