N-[(2S)-1-[[2-(4-phenylmethoxyphenyl)-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide

C24H23N3O4 — CID 86731323

IUPACN-[(2S)-1-[[2-(4-phenylmethoxyphenyl)-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COc1cc2oc(-c3ccc(OCc4ccccc4)cc3)nc2cn1
InChIInChI=1S/C24H23N3O4/c1-16(26-17(2)28)14-30-23-12-22-21(13-25-23)27-24(31-22)19-8-10-20(11-9-19)29-15-18-6-4-3-5-7-18/h3-13,16H,14-15H2,1-2H3,(H,26,28)/t16-/m0/s1
InChIKeyMSHXFPLFORTCPK-INIZCTEOSA-N
MW417.47 g/mol
LogP4.37
Rot. Bonds8

About N-[(2S)-1-[[2-(4-phenylmethoxyphenyl)-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide

N-[(2S)-1-[[2-(4-phenylmethoxyphenyl)-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide (PubChem CID 86731323) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[(2S)-1-[[2-(4-phenylmethoxyphenyl)-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[[2-(4-phenylmethoxyphenyl)-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide
PubChem CID86731323
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC NameN-[(2S)-1-[[2-(4-phenylmethoxyphenyl)-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COc1cc2oc(-c3ccc(OCc4ccccc4)cc3)nc2cn1
InChIInChI=1S/C24H23N3O4/c1-16(26-17(2)28)14-30-23-12-22-21(13-25-23)27-24(31-22)19-8-10-20(11-9-19)29-15-18-6-4-3-5-7-18/h3-13,16H,14-15H2,1-2H3,(H,26,28)/t16-/m0/s1
InChIKeyMSHXFPLFORTCPK-INIZCTEOSA-N
XLogP4.37
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[2-(4-phenylmethoxyphenyl)-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[[2-(4-phenylmethoxyphenyl)-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide (CID 86731323) is N-[(2S)-1-[[2-(4-phenylmethoxyphenyl)-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[[2-(4-phenylmethoxyphenyl)-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[[2-(4-phenylmethoxyphenyl)-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide is CC(=O)N[C@@H](C)COc1cc2oc(-c3ccc(OCc4ccccc4)cc3)nc2cn1.
What is the InChIKey of N-[(2S)-1-[[2-(4-phenylmethoxyphenyl)-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide?
The InChIKey is MSHXFPLFORTCPK-INIZCTEOSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-16(26-17(2)28)14-30-23-12-22-21(13-25-23)27-24(31-22)19-8-10-20(11-9-19)29-15-18-6-4-3-5-7-18/h3-13,16H,14-15H2,1-2H3,(H,26,28)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-[[2-(4-phenylmethoxyphenyl)-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide?
N-[(2S)-1-[[2-(4-phenylmethoxyphenyl)-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide has a molecular weight of 417.47 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[2-(4-phenylmethoxyphenyl)-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide is sourced from PubChem (CID 86731323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).