N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)-N'-(1,2-oxazol-3-yl)oxamide

C21H22N4O4 — CID 16813229

IUPACN-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)-N'-(1,2-oxazol-3-yl)oxamide
SMILESO=C(NCC(c1cccc2ccccc12)N1CCOCC1)C(=O)Nc1ccon1
InChIInChI=1S/C21H22N4O4/c26-20(21(27)23-19-8-11-29-24-19)22-14-18(25-9-12-28-13-10-25)17-7-3-5-15-4-1-2-6-16(15)17/h1-8,11,18H,9-10,12-14H2,(H,22,26)(H,23,24,27)
InChIKeyRZMPWXGFOHXZEE-UHFFFAOYSA-N
MW394.43 g/mol
LogP1.96
Rot. Bonds5

About N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)-N'-(1,2-oxazol-3-yl)oxamide

N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)-N'-(1,2-oxazol-3-yl)oxamide (PubChem CID 16813229) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)-N'-(1,2-oxazol-3-yl)oxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)-N'-(1,2-oxazol-3-yl)oxamide
PubChem CID16813229
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)-N'-(1,2-oxazol-3-yl)oxamide
SMILESO=C(NCC(c1cccc2ccccc12)N1CCOCC1)C(=O)Nc1ccon1
InChIInChI=1S/C21H22N4O4/c26-20(21(27)23-19-8-11-29-24-19)22-14-18(25-9-12-28-13-10-25)17-7-3-5-15-4-1-2-6-16(15)17/h1-8,11,18H,9-10,12-14H2,(H,22,26)(H,23,24,27)
InChIKeyRZMPWXGFOHXZEE-UHFFFAOYSA-N
XLogP1.96
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)-N'-(1,2-oxazol-3-yl)oxamide?
The IUPAC name of N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)-N'-(1,2-oxazol-3-yl)oxamide (CID 16813229) is N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)-N'-(1,2-oxazol-3-yl)oxamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)-N'-(1,2-oxazol-3-yl)oxamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)-N'-(1,2-oxazol-3-yl)oxamide is O=C(NCC(c1cccc2ccccc12)N1CCOCC1)C(=O)Nc1ccon1.
What is the InChIKey of N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)-N'-(1,2-oxazol-3-yl)oxamide?
The InChIKey is RZMPWXGFOHXZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c26-20(21(27)23-19-8-11-29-24-19)22-14-18(25-9-12-28-13-10-25)17-7-3-5-15-4-1-2-6-16(15)17/h1-8,11,18H,9-10,12-14H2,(H,22,26)(H,23,24,27).
What are the key properties of N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)-N'-(1,2-oxazol-3-yl)oxamide?
N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)-N'-(1,2-oxazol-3-yl)oxamide has a molecular weight of 394.43 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)-N'-(1,2-oxazol-3-yl)oxamide is sourced from PubChem (CID 16813229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).