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

C21H17N3O3 — CID 70850880

IUPAC2-phenoxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1
InChIInChI=1S/C21H17N3O3/c1-14(26-17-5-3-2-4-6-17)20(25)23-16-7-8-19-18(13-16)24-21(27-19)15-9-11-22-12-10-15/h2-14H,1H3,(H,23,25)
InChIKeyVHDONQFQZYLFHS-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.30
Rot. Bonds5

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

2-phenoxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide (PubChem CID 70850880) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-phenoxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound Name2-phenoxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
PubChem CID70850880
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name2-phenoxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1
InChIInChI=1S/C21H17N3O3/c1-14(26-17-5-3-2-4-6-17)20(25)23-16-7-8-19-18(13-16)24-21(27-19)15-9-11-22-12-10-15/h2-14H,1H3,(H,23,25)
InChIKeyVHDONQFQZYLFHS-UHFFFAOYSA-N
XLogP4.30
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of 2-phenoxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide (CID 70850880) is 2-phenoxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for 2-phenoxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for 2-phenoxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide is CC(Oc1ccccc1)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1.
What is the InChIKey of 2-phenoxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is VHDONQFQZYLFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-14(26-17-5-3-2-4-6-17)20(25)23-16-7-8-19-18(13-16)24-21(27-19)15-9-11-22-12-10-15/h2-14H,1H3,(H,23,25).
What are the key properties of 2-phenoxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
2-phenoxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 359.39 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 70850880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).