N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide

C27H31N3O3 — CID 39868162

About N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide

N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 39868162) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide
• PubChem CID: 39868162
• Molecular Formula: C27H31N3O3
• Molecular Weight: 445.56 g/mol
• Exact Mass: 445.24
• IUPAC Name: N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide
• SMILES: Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)N2CCOCC2)cc1
• InChI: InChI=1S/C27H31N3O3/c1-19-6-8-21(9-7-19)25(30-12-14-32-15-13-30)18-28-27(31)24-17-26(33-29-24)23-11-10-20-4-2-3-5-22(20)16-23/h6-11,16-17,25H,2-5,12-15,18H2,1H3,(H,28,31)/t25-/m0/s1
• InChIKey: UGASOVSHGWQDDE-VWLOTQADSA-N
• XLogP: 4.33
• TPSA: 67.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.56
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide (CID 39868162) is N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide is Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)N2CCOCC2)cc1.

What is the InChIKey of N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide?

The InChIKey is UGASOVSHGWQDDE-VWLOTQADSA-N. The full InChI is InChI=1S/C27H31N3O3/c1-19-6-8-21(9-7-19)25(30-12-14-32-15-13-30)18-28-27(31)24-17-26(33-29-24)23-11-10-20-4-2-3-5-22(20)16-23/h6-11,16-17,25H,2-5,12-15,18H2,1H3,(H,28,31)/t25-/m0/s1.

What are the key properties of N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide?

N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 445.56 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 39868162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).