propan-2-yl N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate

C19H20Cl2N2O4 — CID 22620938

IUPACpropan-2-yl N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate
SMILESCCN(C(=O)OC(C)C)c1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1Cl
InChIInChI=1S/C19H20Cl2N2O4/c1-4-23(19(25)26-10(2)3)16-12(7-8-14(20)15(16)21)17(24)13-9-22-27-18(13)11-5-6-11/h7-11H,4-6H2,1-3H3
InChIKeyXDIXSMXHBPUJDC-UHFFFAOYSA-N
MW411.29 g/mol
LogP5.46
Rot. Bonds6

About propan-2-yl N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate

propan-2-yl N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate (PubChem CID 22620938) has the molecular formula C19H20Cl2N2O4 and a molecular weight of 411.29 g/mol. Its IUPAC name is propan-2-yl N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate
PubChem CID22620938
Molecular FormulaC19H20Cl2N2O4
Molecular Weight411.29 g/mol
Exact Mass410.08
IUPAC Namepropan-2-yl N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate
SMILESCCN(C(=O)OC(C)C)c1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1Cl
InChIInChI=1S/C19H20Cl2N2O4/c1-4-23(19(25)26-10(2)3)16-12(7-8-14(20)15(16)21)17(24)13-9-22-27-18(13)11-5-6-11/h7-11H,4-6H2,1-3H3
InChIKeyXDIXSMXHBPUJDC-UHFFFAOYSA-N
XLogP5.46
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.29
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate?
The IUPAC name of propan-2-yl N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate (CID 22620938) is propan-2-yl N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate.
What is the SMILES notation for propan-2-yl N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate?
The canonical SMILES for propan-2-yl N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate is CCN(C(=O)OC(C)C)c1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1Cl.
What is the InChIKey of propan-2-yl N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate?
The InChIKey is XDIXSMXHBPUJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O4/c1-4-23(19(25)26-10(2)3)16-12(7-8-14(20)15(16)21)17(24)13-9-22-27-18(13)11-5-6-11/h7-11H,4-6H2,1-3H3.
What are the key properties of propan-2-yl N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate?
propan-2-yl N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate has a molecular weight of 411.29 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate is sourced from PubChem (CID 22620938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).