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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Related Compounds

1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(4-(benzyloxy)phenyl)propane
CID 16735159
3-(4-(Phenoxymethyl)phenyl)-1-(5-(pyridin-2-yl)oxazol-2-yl)propan-1-one
CID 16736226
N~2~-(2,3-Dichlorophenyl)-N-[2-(Pyridin-4-Yl)-1,3-Benzoxazol-5-Yl]-L-Alaninamide
CID 71662775
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(3-(benzyloxy)phenyl)-propane
CID 16735160
(2s)-2-(Naphthalen-1-Yloxy)-N-[2-(Pyridin-4-Yl)-1,3-Benzoxazol-5-Yl]propanamide
CID 71297189
4-fluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 675056
N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 921484
3-ethoxy-N-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]benzamide
CID 1414353
N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 750297
Acetamide, n-(2-methyl-5-benzoxazolyl)-
CID 275495
N-(2-Pyridin-3-yl-benzooxazol-5-yl)-nicotinamide
CID 646942
2-Phenyl-N-(2-pyridin-4-yl-benzooxazol-5-yl)-acetamide
CID 649646

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).