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

C26H20N2O3 — CID 67473155

IUPAC2-naphthalen-1-yloxy-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
SMILESCC(Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1
InChIInChI=1S/C26H20N2O3/c1-17(30-23-13-7-11-18-8-5-6-12-21(18)23)25(29)27-20-14-15-24-22(16-20)28-26(31-24)19-9-3-2-4-10-19/h2-17H,1H3,(H,27,29)
InChIKeyGJWKMXJJKQYZAQ-UHFFFAOYSA-N
MW408.46 g/mol
LogP6.05
Rot. Bonds5

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

2-naphthalen-1-yloxy-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide (PubChem CID 67473155) has the molecular formula C26H20N2O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is 2-naphthalen-1-yloxy-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound Name2-naphthalen-1-yloxy-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
PubChem CID67473155
Molecular FormulaC26H20N2O3
Molecular Weight408.46 g/mol
Exact Mass408.15
IUPAC Name2-naphthalen-1-yloxy-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
SMILESCC(Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1
InChIInChI=1S/C26H20N2O3/c1-17(30-23-13-7-11-18-8-5-6-12-21(18)23)25(29)27-20-14-15-24-22(16-20)28-26(31-24)19-9-3-2-4-10-19/h2-17H,1H3,(H,27,29)
InChIKeyGJWKMXJJKQYZAQ-UHFFFAOYSA-N
XLogP6.05
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.46
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2,3-dichlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259642
2-(2-chlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259641
(2S)-2-(2-chlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259676
2-(2-chloro-3-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259645
(2R)-2-(2,3-dimethoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 73296650
2-(4-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259636
2-(2-chlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 71661724
(2S)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-phenoxypropanamide
CID 92869531
2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259648
(2R)-2-[2-chloro-3-(trifluoromethyl)phenoxy]-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 73296649
(2S)-2-(naphthalen-1-ylamino)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 71662776
(2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)propanamide
CID 42280167

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yloxy-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of 2-naphthalen-1-yloxy-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide (CID 67473155) is 2-naphthalen-1-yloxy-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for 2-naphthalen-1-yloxy-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for 2-naphthalen-1-yloxy-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide is CC(Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1.
What is the InChIKey of 2-naphthalen-1-yloxy-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is GJWKMXJJKQYZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O3/c1-17(30-23-13-7-11-18-8-5-6-12-21(18)23)25(29)27-20-14-15-24-22(16-20)28-26(31-24)19-9-3-2-4-10-19/h2-17H,1H3,(H,27,29).
What are the key properties of 2-naphthalen-1-yloxy-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide?
2-naphthalen-1-yloxy-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 408.46 g/mol, XLogP of 6.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yloxy-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 67473155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).