2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)acetamide

C19H16ClN3O3 — CID 86771278

IUPAC2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)acetamide
SMILESO=C(Cc1coc(-c2ccc(Cl)cc2)n1)Nc1cnc2c(c1)COCC2
InChIInChI=1S/C19H16ClN3O3/c20-14-3-1-12(2-4-14)19-23-16(11-26-19)8-18(24)22-15-7-13-10-25-6-5-17(13)21-9-15/h1-4,7,9,11H,5-6,8,10H2,(H,22,24)
InChIKeyBVVPJEDYWFZDAB-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.64
Rot. Bonds4

About 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)acetamide

2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)acetamide (PubChem CID 86771278) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)acetamide
PubChem CID86771278
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC Name2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)acetamide
SMILESO=C(Cc1coc(-c2ccc(Cl)cc2)n1)Nc1cnc2c(c1)COCC2
InChIInChI=1S/C19H16ClN3O3/c20-14-3-1-12(2-4-14)19-23-16(11-26-19)8-18(24)22-15-7-13-10-25-6-5-17(13)21-9-15/h1-4,7,9,11H,5-6,8,10H2,(H,22,24)
InChIKeyBVVPJEDYWFZDAB-UHFFFAOYSA-N
XLogP3.64
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-[4-fluoro-2-(methanesulfonamido)phenyl]acetamide
CID 75399606
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(4-piperidin-1-yl-3-pyridinyl)acetamide
CID 75463806
N-(4-anilinophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55457295
2-(2-phenyl-1,3-oxazol-4-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 71888893
N-(3,5-difluorophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34169541
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34082048
2-(2-phenyl-1,3-oxazol-4-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 39427955
N-(3-aminobutyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide
CID 119499058
2-[2-[4-(3-chloropropoxy)phenyl]-1,3-oxazol-4-yl]-N-(4-fluorophenyl)acetamide
CID 68506647
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51334670
3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylpropanoic acid
CID 84588911
N-(2-chloro-4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55677449

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)acetamide (CID 86771278) is 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)acetamide is O=C(Cc1coc(-c2ccc(Cl)cc2)n1)Nc1cnc2c(c1)COCC2.
What is the InChIKey of 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)acetamide?
The InChIKey is BVVPJEDYWFZDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c20-14-3-1-12(2-4-14)19-23-16(11-26-19)8-18(24)22-15-7-13-10-25-6-5-17(13)21-9-15/h1-4,7,9,11H,5-6,8,10H2,(H,22,24).
What are the key properties of 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)acetamide?
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)acetamide has a molecular weight of 369.81 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 86771278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).