2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide

C25H19N3O3 — CID 70851038

IUPAC2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
SMILESCC(Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1
InChIInChI=1S/C25H19N3O3/c1-16(30-22-8-4-6-17-5-2-3-7-20(17)22)24(29)27-19-9-10-23-21(15-19)28-25(31-23)18-11-13-26-14-12-18/h2-16H,1H3,(H,27,29)
InChIKeyQCNXGTHMVPSAAC-UHFFFAOYSA-N
MW409.45 g/mol
LogP5.45
Rot. Bonds5

About 2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide

2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide (PubChem CID 70851038) has the molecular formula C25H19N3O3 and a molecular weight of 409.45 g/mol. Its IUPAC name is 2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound Name2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
PubChem CID70851038
Molecular FormulaC25H19N3O3
Molecular Weight409.45 g/mol
Exact Mass409.14
IUPAC Name2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
SMILESCC(Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1
InChIInChI=1S/C25H19N3O3/c1-16(30-22-8-4-6-17-5-2-3-7-20(17)22)24(29)27-19-9-10-23-21(15-19)28-25(31-23)18-11-13-26-14-12-18/h2-16H,1H3,(H,27,29)
InChIKeyQCNXGTHMVPSAAC-UHFFFAOYSA-N
XLogP5.45
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.45
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of 2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide (CID 70851038) is 2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for 2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for 2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide is CC(Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1.
What is the InChIKey of 2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is QCNXGTHMVPSAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O3/c1-16(30-22-8-4-6-17-5-2-3-7-20(17)22)24(29)27-19-9-10-23-21(15-19)28-25(31-23)18-11-13-26-14-12-18/h2-16H,1H3,(H,27,29).
What are the key properties of 2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 409.45 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 70851038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).