2-(4-chloronaphthalen-1-yl)oxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide

C25H18ClN3O3 — CID 71661897

IUPAC2-(4-chloronaphthalen-1-yl)oxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
SMILESCC(Oc1ccc(Cl)c2ccccc12)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1
InChIInChI=1S/C25H18ClN3O3/c1-15(31-22-9-7-20(26)18-4-2-3-5-19(18)22)24(30)28-17-6-8-23-21(14-17)29-25(32-23)16-10-12-27-13-11-16/h2-15H,1H3,(H,28,30)
InChIKeyXQDNYWOUGDXBJB-UHFFFAOYSA-N
MW443.89 g/mol
LogP6.10
Rot. Bonds5

About 2-(4-chloronaphthalen-1-yl)oxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide

2-(4-chloronaphthalen-1-yl)oxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide (PubChem CID 71661897) has the molecular formula C25H18ClN3O3 and a molecular weight of 443.89 g/mol. Its IUPAC name is 2-(4-chloronaphthalen-1-yl)oxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound Name2-(4-chloronaphthalen-1-yl)oxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
PubChem CID71661897
Molecular FormulaC25H18ClN3O3
Molecular Weight443.89 g/mol
Exact Mass443.10
IUPAC Name2-(4-chloronaphthalen-1-yl)oxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
SMILESCC(Oc1ccc(Cl)c2ccccc12)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1
InChIInChI=1S/C25H18ClN3O3/c1-15(31-22-9-7-20(26)18-4-2-3-5-19(18)22)24(30)28-17-6-8-23-21(14-17)29-25(32-23)16-10-12-27-13-11-16/h2-15H,1H3,(H,28,30)
InChIKeyXQDNYWOUGDXBJB-UHFFFAOYSA-N
XLogP6.10
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.89
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloronaphthalen-1-yl)oxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of 2-(4-chloronaphthalen-1-yl)oxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide (CID 71661897) is 2-(4-chloronaphthalen-1-yl)oxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for 2-(4-chloronaphthalen-1-yl)oxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for 2-(4-chloronaphthalen-1-yl)oxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide is CC(Oc1ccc(Cl)c2ccccc12)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1.
What is the InChIKey of 2-(4-chloronaphthalen-1-yl)oxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is XQDNYWOUGDXBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN3O3/c1-15(31-22-9-7-20(26)18-4-2-3-5-19(18)22)24(30)28-17-6-8-23-21(14-17)29-25(32-23)16-10-12-27-13-11-16/h2-15H,1H3,(H,28,30).
What are the key properties of 2-(4-chloronaphthalen-1-yl)oxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
2-(4-chloronaphthalen-1-yl)oxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 443.89 g/mol, XLogP of 6.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloronaphthalen-1-yl)oxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 71661897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).