methyl N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-propylcarbamate

C18H18Cl2N2O4 — CID 22621148

IUPACmethyl N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-propylcarbamate
SMILESCCCN(C(=O)OC)c1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1Cl
InChIInChI=1S/C18H18Cl2N2O4/c1-3-8-22(18(24)25-2)15-11(6-7-13(19)14(15)20)16(23)12-9-21-26-17(12)10-4-5-10/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyFCFFAHZMNTTYNN-UHFFFAOYSA-N
MW397.26 g/mol
LogP5.07
Rot. Bonds6

About methyl N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-propylcarbamate

methyl N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-propylcarbamate (PubChem CID 22621148) has the molecular formula C18H18Cl2N2O4 and a molecular weight of 397.26 g/mol. Its IUPAC name is methyl N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-propylcarbamate.

Molecular Properties

Compound Namemethyl N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-propylcarbamate
PubChem CID22621148
Molecular FormulaC18H18Cl2N2O4
Molecular Weight397.26 g/mol
Exact Mass396.06
IUPAC Namemethyl N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-propylcarbamate
SMILESCCCN(C(=O)OC)c1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1Cl
InChIInChI=1S/C18H18Cl2N2O4/c1-3-8-22(18(24)25-2)15-11(6-7-13(19)14(15)20)16(23)12-9-21-26-17(12)10-4-5-10/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyFCFFAHZMNTTYNN-UHFFFAOYSA-N
XLogP5.07
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.26
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-propylcarbamate with MolForge

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Related Compounds

methyl N-[3-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-fluorophenyl]-N-ethylcarbamate
CID 22621016
methyl N-[6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2,3-difluorophenyl]-N-ethylcarbamate
CID 22621100
N-[3-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-fluorophenyl]-N-ethylmethanesulfonamide
CID 22621107
methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-ethylcarbamate
CID 22621145
[4-Chloro-2-(ethylamino)-3-fluorophenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 22621164
N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-methylmethanesulfonamide
CID 18350437
N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-methylethanethioamide
CID 19601763
propan-2-yl N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate
CID 22620938
methyl N-[2-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate
CID 22620953
methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate
CID 22620958
Ethyl 5-cyclopropyl-4-[3,4-dichloro-2-[methoxycarbonyl(methyl)amino]benzoyl]-1,2-oxazole-3-carboxylate
CID 22620960
[4-Chloro-2-(2-methylpropylamino)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 22620970

Frequently Asked Questions

What is the IUPAC name of methyl N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-propylcarbamate?
The IUPAC name of methyl N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-propylcarbamate (CID 22621148) is methyl N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-propylcarbamate.
What is the SMILES notation for methyl N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-propylcarbamate?
The canonical SMILES for methyl N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-propylcarbamate is CCCN(C(=O)OC)c1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1Cl.
What is the InChIKey of methyl N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-propylcarbamate?
The InChIKey is FCFFAHZMNTTYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4/c1-3-8-22(18(24)25-2)15-11(6-7-13(19)14(15)20)16(23)12-9-21-26-17(12)10-4-5-10/h6-7,9-10H,3-5,8H2,1-2H3.
What are the key properties of methyl N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-propylcarbamate?
methyl N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-propylcarbamate has a molecular weight of 397.26 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-propylcarbamate is sourced from PubChem (CID 22621148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).