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

C25H19N3O3 — CID 71297189

IUPAC(2S)-2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
SMILESC[C@H](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)/t16-/m0/s1
InChIKeyQCNXGTHMVPSAAC-INIZCTEOSA-N
MW409.45 g/mol
LogP5.45
Rot. Bonds5

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

(2S)-2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide (PubChem CID 71297189) has the molecular formula C25H19N3O3 and a molecular weight of 409.45 g/mol. Its IUPAC name is (2S)-2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
PubChem CID71297189
Molecular FormulaC25H19N3O3
Molecular Weight409.45 g/mol
Exact Mass409.14
IUPAC Name(2S)-2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
SMILESC[C@H](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)/t16-/m0/s1
InChIKeyQCNXGTHMVPSAAC-INIZCTEOSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-Naphthyl)-1,3-benzoxazol-5-amine
CID 650480
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(3-(benzyloxy)phenyl)-propane
CID 16735160
(2S)-2-(1-naphthyloxy)-N-(2-thiazol-5-yl-1,3-benzoxazol-5-yl)propanamide
CID 71662422
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
2-Phenyl-N-(2-pyridin-4-yl-benzooxazol-5-yl)-acetamide
CID 649646
N-(2-phenyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 650941
N-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]pentanamide
CID 665180
(2R)-2-phenyl-N-[2-(4-pyridyl)-1,3-benzoxazol-5-yl]propanamide
CID 71662589
2-(2-fluorobenzyl)-N-[2-(2-pyridinyl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 24816611
N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
CID 960374

Frequently Asked Questions

What is the IUPAC name of (2S)-2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of (2S)-2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide (CID 71297189) is (2S)-2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for (2S)-2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for (2S)-2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide is C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1.
What is the InChIKey of (2S)-2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is QCNXGTHMVPSAAC-INIZCTEOSA-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)/t16-/m0/s1.
What are the key properties of (2S)-2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
(2S)-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 (2S)-2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 71297189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).