5-[[(5S)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-3-carboxamide

C21H17N3O4 — CID 123773067

IUPAC5-[[(5S)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-3-carboxamide
SMILESNC(=O)c1cncc(OC2=C[C@@H](c3ccc(Oc4ccccc4)cc3)ON2)c1
InChIInChI=1S/C21H17N3O4/c22-21(25)15-10-18(13-23-12-15)27-20-11-19(28-24-20)14-6-8-17(9-7-14)26-16-4-2-1-3-5-16/h1-13,19,24H,(H2,22,25)/t19-/m0/s1
InChIKeySXWKTDJNIBMLJM-IBGZPJMESA-N
MW375.38 g/mol
LogP3.47
Rot. Bonds6

About 5-[[(5S)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-3-carboxamide

5-[[(5S)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-3-carboxamide (PubChem CID 123773067) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is 5-[[(5S)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[(5S)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-3-carboxamide
PubChem CID123773067
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC Name5-[[(5S)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-3-carboxamide
SMILESNC(=O)c1cncc(OC2=C[C@@H](c3ccc(Oc4ccccc4)cc3)ON2)c1
InChIInChI=1S/C21H17N3O4/c22-21(25)15-10-18(13-23-12-15)27-20-11-19(28-24-20)14-6-8-17(9-7-14)26-16-4-2-1-3-5-16/h1-13,19,24H,(H2,22,25)/t19-/m0/s1
InChIKeySXWKTDJNIBMLJM-IBGZPJMESA-N
XLogP3.47
TPSA95.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[(5S)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-3-carboxamide?
The IUPAC name of 5-[[(5S)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-3-carboxamide (CID 123773067) is 5-[[(5S)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-3-carboxamide.
What is the SMILES notation for 5-[[(5S)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-3-carboxamide?
The canonical SMILES for 5-[[(5S)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-3-carboxamide is NC(=O)c1cncc(OC2=C[C@@H](c3ccc(Oc4ccccc4)cc3)ON2)c1.
What is the InChIKey of 5-[[(5S)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-3-carboxamide?
The InChIKey is SXWKTDJNIBMLJM-IBGZPJMESA-N. The full InChI is InChI=1S/C21H17N3O4/c22-21(25)15-10-18(13-23-12-15)27-20-11-19(28-24-20)14-6-8-17(9-7-14)26-16-4-2-1-3-5-16/h1-13,19,24H,(H2,22,25)/t19-/m0/s1.
What are the key properties of 5-[[(5S)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-3-carboxamide?
5-[[(5S)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-3-carboxamide has a molecular weight of 375.38 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5S)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-3-carboxamide is sourced from PubChem (CID 123773067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).