N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

C20H17ClN2O4 — CID 51316456

IUPACN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESO=C(CCc1ncc(-c2ccccc2)o1)Nc1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C20H17ClN2O4/c21-14-10-16-17(26-9-8-25-16)11-15(14)23-19(24)6-7-20-22-12-18(27-20)13-4-2-1-3-5-13/h1-5,10-12H,6-9H2,(H,23,24)
InChIKeyBOJPNVPWQIVECD-UHFFFAOYSA-N
MW384.82 g/mol
LogP4.34
Rot. Bonds5

About N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 51316456) has the molecular formula C20H17ClN2O4 and a molecular weight of 384.82 g/mol. Its IUPAC name is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
PubChem CID51316456
Molecular FormulaC20H17ClN2O4
Molecular Weight384.82 g/mol
Exact Mass384.09
IUPAC NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESO=C(CCc1ncc(-c2ccccc2)o1)Nc1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C20H17ClN2O4/c21-14-10-16-17(26-9-8-25-16)11-15(14)23-19(24)6-7-20-22-12-18(27-20)13-4-2-1-3-5-13/h1-5,10-12H,6-9H2,(H,23,24)
InChIKeyBOJPNVPWQIVECD-UHFFFAOYSA-N
XLogP4.34
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16590370
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide
CID 16597692
N-(2,4-dibromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16591578
N-(2,5-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 51511272
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51311777
[2-(2-chloroanilino)-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate
CID 42295659
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 24592654
N-(2-methoxy-5-methylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51309889
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16596491
N-(3-bromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16590292
N-(5-bromo-2-methoxyphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 55905133
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-phenylanilino)acetamide
CID 71943793

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (CID 51316456) is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is O=C(CCc1ncc(-c2ccccc2)o1)Nc1cc2c(cc1Cl)OCCO2.
What is the InChIKey of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is BOJPNVPWQIVECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4/c21-14-10-16-17(26-9-8-25-16)11-15(14)23-19(24)6-7-20-22-12-18(27-20)13-4-2-1-3-5-13/h1-5,10-12H,6-9H2,(H,23,24).
What are the key properties of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 384.82 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 51316456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).