4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methoxy]benzamide

C28H27Cl2N3O4 — CID 15941415

IUPAC4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methoxy]benzamide
SMILESCC1(COc2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc2OC2CCCC2)CC(c2ccccc2)=NO1
InChIInChI=1S/C28H27Cl2N3O4/c1-28(14-23(33-37-28)18-7-3-2-4-8-18)17-35-25-13-19(11-12-24(25)36-20-9-5-6-10-20)27(34)32-26-21(29)15-31-16-22(26)30/h2-4,7-8,11-13,15-16,20H,5-6,9-10,14,17H2,1H3,(H,31,32,34)
InChIKeyLHCDTXYXCOBVKN-UHFFFAOYSA-N
MW540.45 g/mol
LogP6.92
Rot. Bonds8

About 4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methoxy]benzamide

4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methoxy]benzamide (PubChem CID 15941415) has the molecular formula C28H27Cl2N3O4 and a molecular weight of 540.45 g/mol. Its IUPAC name is 4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methoxy]benzamide.

Molecular Properties

Compound Name4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methoxy]benzamide
PubChem CID15941415
Molecular FormulaC28H27Cl2N3O4
Molecular Weight540.45 g/mol
Exact Mass539.14
IUPAC Name4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methoxy]benzamide
SMILESCC1(COc2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc2OC2CCCC2)CC(c2ccccc2)=NO1
InChIInChI=1S/C28H27Cl2N3O4/c1-28(14-23(33-37-28)18-7-3-2-4-8-18)17-35-25-13-19(11-12-24(25)36-20-9-5-6-10-20)27(34)32-26-21(29)15-31-16-22(26)30/h2-4,7-8,11-13,15-16,20H,5-6,9-10,14,17H2,1H3,(H,31,32,34)
InChIKeyLHCDTXYXCOBVKN-UHFFFAOYSA-N
XLogP6.92
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.45
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methoxy]benzamide?
The IUPAC name of 4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methoxy]benzamide (CID 15941415) is 4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methoxy]benzamide.
What is the SMILES notation for 4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methoxy]benzamide?
The canonical SMILES for 4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methoxy]benzamide is CC1(COc2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc2OC2CCCC2)CC(c2ccccc2)=NO1.
What is the InChIKey of 4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methoxy]benzamide?
The InChIKey is LHCDTXYXCOBVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27Cl2N3O4/c1-28(14-23(33-37-28)18-7-3-2-4-8-18)17-35-25-13-19(11-12-24(25)36-20-9-5-6-10-20)27(34)32-26-21(29)15-31-16-22(26)30/h2-4,7-8,11-13,15-16,20H,5-6,9-10,14,17H2,1H3,(H,31,32,34).
What are the key properties of 4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methoxy]benzamide?
4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methoxy]benzamide has a molecular weight of 540.45 g/mol, XLogP of 6.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methoxy]benzamide is sourced from PubChem (CID 15941415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).