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

C27H26Cl2N4O4 — CID 91392875

IUPAC4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(5-methyl-3-pyridin-3-yl-2H-1,2-oxazol-5-yl)methoxy]benzamide
SMILESCC1(COc2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc2OC2CCCC2)C=C(c2cccnc2)NO1
InChIInChI=1S/C27H26Cl2N4O4/c1-27(12-22(33-37-27)18-5-4-10-30-13-18)16-35-24-11-17(8-9-23(24)36-19-6-2-3-7-19)26(34)32-25-20(28)14-31-15-21(25)29/h4-5,8-15,19,33H,2-3,6-7,16H2,1H3,(H,31,32,34)
InChIKeyKTRMINLBGDPAMN-UHFFFAOYSA-N
MW541.44 g/mol
LogP6.07
Rot. Bonds8

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

4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(5-methyl-3-pyridin-3-yl-2H-1,2-oxazol-5-yl)methoxy]benzamide (PubChem CID 91392875) has the molecular formula C27H26Cl2N4O4 and a molecular weight of 541.44 g/mol. Its IUPAC name is 4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(5-methyl-3-pyridin-3-yl-2H-1,2-oxazol-5-yl)methoxy]benzamide.

Molecular Properties

Compound Name4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(5-methyl-3-pyridin-3-yl-2H-1,2-oxazol-5-yl)methoxy]benzamide
PubChem CID91392875
Molecular FormulaC27H26Cl2N4O4
Molecular Weight541.44 g/mol
Exact Mass540.13
IUPAC Name4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(5-methyl-3-pyridin-3-yl-2H-1,2-oxazol-5-yl)methoxy]benzamide
SMILESCC1(COc2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc2OC2CCCC2)C=C(c2cccnc2)NO1
InChIInChI=1S/C27H26Cl2N4O4/c1-27(12-22(33-37-27)18-5-4-10-30-13-18)16-35-24-11-17(8-9-23(24)36-19-6-2-3-7-19)26(34)32-25-20(28)14-31-15-21(25)29/h4-5,8-15,19,33H,2-3,6-7,16H2,1H3,(H,31,32,34)
InChIKeyKTRMINLBGDPAMN-UHFFFAOYSA-N
XLogP6.07
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.44
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-pyridin-3-yl-2H-1,2-oxazol-5-yl)methoxy]benzamide?
The IUPAC name of 4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(5-methyl-3-pyridin-3-yl-2H-1,2-oxazol-5-yl)methoxy]benzamide (CID 91392875) is 4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(5-methyl-3-pyridin-3-yl-2H-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-pyridin-3-yl-2H-1,2-oxazol-5-yl)methoxy]benzamide?
The canonical SMILES for 4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(5-methyl-3-pyridin-3-yl-2H-1,2-oxazol-5-yl)methoxy]benzamide is CC1(COc2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc2OC2CCCC2)C=C(c2cccnc2)NO1.
What is the InChIKey of 4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(5-methyl-3-pyridin-3-yl-2H-1,2-oxazol-5-yl)methoxy]benzamide?
The InChIKey is KTRMINLBGDPAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26Cl2N4O4/c1-27(12-22(33-37-27)18-5-4-10-30-13-18)16-35-24-11-17(8-9-23(24)36-19-6-2-3-7-19)26(34)32-25-20(28)14-31-15-21(25)29/h4-5,8-15,19,33H,2-3,6-7,16H2,1H3,(H,31,32,34).
What are the key properties of 4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(5-methyl-3-pyridin-3-yl-2H-1,2-oxazol-5-yl)methoxy]benzamide?
4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(5-methyl-3-pyridin-3-yl-2H-1,2-oxazol-5-yl)methoxy]benzamide has a molecular weight of 541.44 g/mol, XLogP of 6.07, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(5-methyl-3-pyridin-3-yl-2H-1,2-oxazol-5-yl)methoxy]benzamide is sourced from PubChem (CID 91392875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).