N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-phenyl-1,2-oxazole-5-carboxamide

C20H17ClN2O4 — CID 55645989

IUPACN-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-phenyl-1,2-oxazole-5-carboxamide
SMILESO=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1cc(-c2ccccc2)no1
InChIInChI=1S/C20H17ClN2O4/c21-15-10-13(11-17-19(15)26-9-8-25-17)6-7-22-20(24)18-12-16(23-27-18)14-4-2-1-3-5-14/h1-5,10-12H,6-9H2,(H,22,24)
InChIKeyCDJIKLGKMKYBNM-UHFFFAOYSA-N
MW384.82 g/mol
LogP3.74
Rot. Bonds5

About N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-phenyl-1,2-oxazole-5-carboxamide

N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 55645989) has the molecular formula C20H17ClN2O4 and a molecular weight of 384.82 g/mol. Its IUPAC name is N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-phenyl-1,2-oxazole-5-carboxamide
PubChem CID55645989
Molecular FormulaC20H17ClN2O4
Molecular Weight384.82 g/mol
Exact Mass384.09
IUPAC NameN-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-phenyl-1,2-oxazole-5-carboxamide
SMILESO=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1cc(-c2ccccc2)no1
InChIInChI=1S/C20H17ClN2O4/c21-15-10-13(11-17-19(15)26-9-8-25-17)6-7-22-20(24)18-12-16(23-27-18)14-4-2-1-3-5-14/h1-5,10-12H,6-9H2,(H,22,24)
InChIKeyCDJIKLGKMKYBNM-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]benzamide
CID 18126425
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55759194
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 55759258
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(2-phenylphenoxy)acetamide
CID 24655170
1-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-(3-phenoxypropyl)urea
CID 36520782
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-phenylbutanamide
CID 55467050
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(N-ethylanilino)acetamide
CID 55838690
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-cyclopentylacetamide
CID 24630297
2,4-dichloro-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-fluorobenzamide
CID 24564127
2-chloro-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]quinoline-6-carboxamide
CID 55821602
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 55543515
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(pyrrolidin-1-ylmethyl)benzamide
CID 46977867

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-phenyl-1,2-oxazole-5-carboxamide (CID 55645989) is N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-phenyl-1,2-oxazole-5-carboxamide is O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1cc(-c2ccccc2)no1.
What is the InChIKey of N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is CDJIKLGKMKYBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4/c21-15-10-13(11-17-19(15)26-9-8-25-17)6-7-22-20(24)18-12-16(23-27-18)14-4-2-1-3-5-14/h1-5,10-12H,6-9H2,(H,22,24).
What are the key properties of N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-phenyl-1,2-oxazole-5-carboxamide?
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-phenyl-1,2-oxazole-5-carboxamide has a molecular weight of 384.82 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 55645989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).