(6-cyclopentyloxy-3-pyridinyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate

C22H21Cl2N3O4 — CID 25204473

IUPAC(6-cyclopentyloxy-3-pyridinyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)OCc1ccc(OC2CCCC2)nc1
InChIInChI=1S/C22H21Cl2N3O4/c1-13-20(21(27-31-13)19-16(23)7-4-8-17(19)24)26-22(28)29-12-14-9-10-18(25-11-14)30-15-5-2-3-6-15/h4,7-11,15H,2-3,5-6,12H2,1H3,(H,26,28)
InChIKeyRCRIKUQWNCZJIN-UHFFFAOYSA-N
MW462.33 g/mol
LogP6.42
Rot. Bonds6

About (6-cyclopentyloxy-3-pyridinyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate

(6-cyclopentyloxy-3-pyridinyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate (PubChem CID 25204473) has the molecular formula C22H21Cl2N3O4 and a molecular weight of 462.33 g/mol. Its IUPAC name is (6-cyclopentyloxy-3-pyridinyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate.

Molecular Properties

Compound Name(6-cyclopentyloxy-3-pyridinyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
PubChem CID25204473
Molecular FormulaC22H21Cl2N3O4
Molecular Weight462.33 g/mol
Exact Mass461.09
IUPAC Name(6-cyclopentyloxy-3-pyridinyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)OCc1ccc(OC2CCCC2)nc1
InChIInChI=1S/C22H21Cl2N3O4/c1-13-20(21(27-31-13)19-16(23)7-4-8-17(19)24)26-22(28)29-12-14-9-10-18(25-11-14)30-15-5-2-3-6-15/h4,7-11,15H,2-3,5-6,12H2,1H3,(H,26,28)
InChIKeyRCRIKUQWNCZJIN-UHFFFAOYSA-N
XLogP6.42
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.33
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6-cyclopentyloxy-3-pyridinyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6-cyclopentyloxy-3-pyridinyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate?
The IUPAC name of (6-cyclopentyloxy-3-pyridinyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate (CID 25204473) is (6-cyclopentyloxy-3-pyridinyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate.
What is the SMILES notation for (6-cyclopentyloxy-3-pyridinyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate?
The canonical SMILES for (6-cyclopentyloxy-3-pyridinyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate is Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)OCc1ccc(OC2CCCC2)nc1.
What is the InChIKey of (6-cyclopentyloxy-3-pyridinyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate?
The InChIKey is RCRIKUQWNCZJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O4/c1-13-20(21(27-31-13)19-16(23)7-4-8-17(19)24)26-22(28)29-12-14-9-10-18(25-11-14)30-15-5-2-3-6-15/h4,7-11,15H,2-3,5-6,12H2,1H3,(H,26,28).
What are the key properties of (6-cyclopentyloxy-3-pyridinyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate?
(6-cyclopentyloxy-3-pyridinyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate has a molecular weight of 462.33 g/mol, XLogP of 6.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cyclopentyloxy-3-pyridinyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate is sourced from PubChem (CID 25204473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).