2-[2-(diethylamino)ethyl-[(4-nitrophenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C19H26N6O5 — CID 42770460

IUPAC2-[2-(diethylamino)ethyl-[(4-nitrophenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCN(CC)CCN(CC(=O)Nc1cc(C)on1)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H26N6O5/c1-4-23(5-2)10-11-24(13-18(26)21-17-12-14(3)30-22-17)19(27)20-15-6-8-16(9-7-15)25(28)29/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,20,27)(H,21,22,26)
InChIKeyJWQBOHHVNCWTKB-UHFFFAOYSA-N
MW418.45 g/mol
LogP2.71
Rot. Bonds10

About 2-[2-(diethylamino)ethyl-[(4-nitrophenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[2-(diethylamino)ethyl-[(4-nitrophenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 42770460) has the molecular formula C19H26N6O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl-[(4-nitrophenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl-[(4-nitrophenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID42770460
Molecular FormulaC19H26N6O5
Molecular Weight418.45 g/mol
Exact Mass418.20
IUPAC Name2-[2-(diethylamino)ethyl-[(4-nitrophenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCN(CC)CCN(CC(=O)Nc1cc(C)on1)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H26N6O5/c1-4-23(5-2)10-11-24(13-18(26)21-17-12-14(3)30-22-17)19(27)20-15-6-8-16(9-7-15)25(28)29/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,20,27)(H,21,22,26)
InChIKeyJWQBOHHVNCWTKB-UHFFFAOYSA-N
XLogP2.71
TPSA133.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-methylbutyl-[(4-nitrophenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3338382
N-[2-(diethylamino)ethyl]-2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 5078699
2-[3-methoxypropyl-[(4-methylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4165943
2-chloro-N-hexyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-nitrobenzamide
CID 4126821
2-[(3-cyanophenyl)carbamoyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 814069
2-[dimethylcarbamoyl(ethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 814446
2-[(3,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42769251
N-[2-(diethylamino)ethyl]-3-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4080843
2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42770425
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 51171141
N-(3-methoxypropyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-nitrobenzamide
CID 4054596
N-[2-(dimethylamino)ethyl]-4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-nitrobenzamide
CID 42770327

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl-[(4-nitrophenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[2-(diethylamino)ethyl-[(4-nitrophenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 42770460) is 2-[2-(diethylamino)ethyl-[(4-nitrophenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[2-(diethylamino)ethyl-[(4-nitrophenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[2-(diethylamino)ethyl-[(4-nitrophenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCN(CC)CCN(CC(=O)Nc1cc(C)on1)C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[2-(diethylamino)ethyl-[(4-nitrophenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is JWQBOHHVNCWTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O5/c1-4-23(5-2)10-11-24(13-18(26)21-17-12-14(3)30-22-17)19(27)20-15-6-8-16(9-7-15)25(28)29/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,20,27)(H,21,22,26).
What are the key properties of 2-[2-(diethylamino)ethyl-[(4-nitrophenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[2-(diethylamino)ethyl-[(4-nitrophenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 418.45 g/mol, XLogP of 2.71, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl-[(4-nitrophenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 42770460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).