(5R)-3-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C18H15ClN2O4 — CID 7641643

IUPAC(5R)-3-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)[C@H]1CC(c2ccccc2Cl)=NO1
InChIInChI=1S/C18H15ClN2O4/c19-13-4-2-1-3-12(13)14-10-17(25-21-14)18(22)20-11-5-6-15-16(9-11)24-8-7-23-15/h1-6,9,17H,7-8,10H2,(H,20,22)/t17-/m1/s1
InChIKeyKTCIJSDLGHBHAZ-QGZVFWFLSA-N
MW358.78 g/mol
LogP3.24
Rot. Bonds3

About (5R)-3-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

(5R)-3-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 7641643) has the molecular formula C18H15ClN2O4 and a molecular weight of 358.78 g/mol. Its IUPAC name is (5R)-3-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID7641643
Molecular FormulaC18H15ClN2O4
Molecular Weight358.78 g/mol
Exact Mass358.07
IUPAC Name(5R)-3-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)[C@H]1CC(c2ccccc2Cl)=NO1
InChIInChI=1S/C18H15ClN2O4/c19-13-4-2-1-3-12(13)14-10-17(25-21-14)18(22)20-11-5-6-15-16(9-11)24-8-7-23-15/h1-6,9,17H,7-8,10H2,(H,20,22)/t17-/m1/s1
InChIKeyKTCIJSDLGHBHAZ-QGZVFWFLSA-N
XLogP3.24
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 7645639
(5S)-3-(2-chlorophenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51495750
3-(2-chlorophenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46963224
N-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3158098
(5S)-N-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503703
N-(3-chloro-4-fluorophenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493636
(5R)-N-[(2R)-butan-2-yl]-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 7260010
(5S)-N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 7260009
N-(1,3-benzodioxol-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3237410
N-(3-chlorophenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493687
N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarboxamide
CID 730787
5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 46652079

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-3-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 7641643) is (5R)-3-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-3-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-3-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CC(c2ccccc2Cl)=NO1.
What is the InChIKey of (5R)-3-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is KTCIJSDLGHBHAZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H15ClN2O4/c19-13-4-2-1-3-12(13)14-10-17(25-21-14)18(22)20-11-5-6-15-16(9-11)24-8-7-23-15/h1-6,9,17H,7-8,10H2,(H,20,22)/t17-/m1/s1.
What are the key properties of (5R)-3-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5R)-3-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 358.78 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 7641643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).