N-[5-[[(5S)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]acetamide

C22H19N3O4 — CID 88979580

IUPACN-[5-[[(5S)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(OC2=NO[C@H](c3ccc(Oc4ccccc4)cc3)C2)cn1
InChIInChI=1S/C22H19N3O4/c1-15(26)24-21-12-11-19(14-23-21)28-22-13-20(29-25-22)16-7-9-18(10-8-16)27-17-5-3-2-4-6-17/h2-12,14,20H,13H2,1H3,(H,23,24,26)/t20-/m0/s1
InChIKeyCGEACQWFVYQGJQ-FQEVSTJZSA-N
MW389.41 g/mol
LogP4.69
Rot. Bonds5

About N-[5-[[(5S)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]acetamide

N-[5-[[(5S)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]acetamide (PubChem CID 88979580) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is N-[5-[[(5S)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[[(5S)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]acetamide
PubChem CID88979580
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC NameN-[5-[[(5S)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(OC2=NO[C@H](c3ccc(Oc4ccccc4)cc3)C2)cn1
InChIInChI=1S/C22H19N3O4/c1-15(26)24-21-12-11-19(14-23-21)28-22-13-20(29-25-22)16-7-9-18(10-8-16)27-17-5-3-2-4-6-17/h2-12,14,20H,13H2,1H3,(H,23,24,26)/t20-/m0/s1
InChIKeyCGEACQWFVYQGJQ-FQEVSTJZSA-N
XLogP4.69
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[(5S)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[[(5S)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]acetamide (CID 88979580) is N-[5-[[(5S)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[[(5S)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[[(5S)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(OC2=NO[C@H](c3ccc(Oc4ccccc4)cc3)C2)cn1.
What is the InChIKey of N-[5-[[(5S)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]acetamide?
The InChIKey is CGEACQWFVYQGJQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-15(26)24-21-12-11-19(14-23-21)28-22-13-20(29-25-22)16-7-9-18(10-8-16)27-17-5-3-2-4-6-17/h2-12,14,20H,13H2,1H3,(H,23,24,26)/t20-/m0/s1.
What are the key properties of N-[5-[[(5S)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]acetamide?
N-[5-[[(5S)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]acetamide has a molecular weight of 389.41 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(5S)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]acetamide is sourced from PubChem (CID 88979580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).