4-(1,3-oxazol-5-yl)-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide

C22H21N3O3 — CID 58965387

IUPAC4-(1,3-oxazol-5-yl)-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(-c2cnco2)cc1)NC1CCCc2ccccc21
InChIInChI=1S/C22H21N3O3/c26-21(25-19-7-3-5-15-4-1-2-6-18(15)19)13-24-22(27)17-10-8-16(9-11-17)20-12-23-14-28-20/h1-2,4,6,8-12,14,19H,3,5,7,13H2,(H,24,27)(H,25,26)
InChIKeyRSIRXLMZUSFWLF-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.27
Rot. Bonds5

About 4-(1,3-oxazol-5-yl)-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide

4-(1,3-oxazol-5-yl)-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide (PubChem CID 58965387) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-(1,3-oxazol-5-yl)-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-(1,3-oxazol-5-yl)-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide
PubChem CID58965387
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name4-(1,3-oxazol-5-yl)-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(-c2cnco2)cc1)NC1CCCc2ccccc21
InChIInChI=1S/C22H21N3O3/c26-21(25-19-7-3-5-15-4-1-2-6-18(15)19)13-24-22(27)17-10-8-16(9-11-17)20-12-23-14-28-20/h1-2,4,6,8-12,14,19H,3,5,7,13H2,(H,24,27)(H,25,26)
InChIKeyRSIRXLMZUSFWLF-UHFFFAOYSA-N
XLogP3.27
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-oxazol-5-yl)-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide?
The IUPAC name of 4-(1,3-oxazol-5-yl)-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide (CID 58965387) is 4-(1,3-oxazol-5-yl)-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide.
What is the SMILES notation for 4-(1,3-oxazol-5-yl)-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide?
The canonical SMILES for 4-(1,3-oxazol-5-yl)-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide is O=C(CNC(=O)c1ccc(-c2cnco2)cc1)NC1CCCc2ccccc21.
What is the InChIKey of 4-(1,3-oxazol-5-yl)-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide?
The InChIKey is RSIRXLMZUSFWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c26-21(25-19-7-3-5-15-4-1-2-6-18(15)19)13-24-22(27)17-10-8-16(9-11-17)20-12-23-14-28-20/h1-2,4,6,8-12,14,19H,3,5,7,13H2,(H,24,27)(H,25,26).
What are the key properties of 4-(1,3-oxazol-5-yl)-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide?
4-(1,3-oxazol-5-yl)-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide has a molecular weight of 375.43 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-oxazol-5-yl)-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide is sourced from PubChem (CID 58965387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).