N-[4-(dimethylamino)phenyl]-5-methyl-3-(3-nitrophenyl)-1,2-oxazole-4-carboxamide

C19H18N4O4 — CID 155555398

IUPACN-[4-(dimethylamino)phenyl]-5-methyl-3-(3-nitrophenyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2cccc([N+](=O)[O-])c2)c1C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C19H18N4O4/c1-12-17(19(24)20-14-7-9-15(10-8-14)22(2)3)18(21-27-12)13-5-4-6-16(11-13)23(25)26/h4-11H,1-3H3,(H,20,24)
InChIKeyYFXWHCJIYKHOJW-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.88
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-5-methyl-3-(3-nitrophenyl)-1,2-oxazole-4-carboxamide

N-[4-(dimethylamino)phenyl]-5-methyl-3-(3-nitrophenyl)-1,2-oxazole-4-carboxamide (PubChem CID 155555398) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-5-methyl-3-(3-nitrophenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-5-methyl-3-(3-nitrophenyl)-1,2-oxazole-4-carboxamide
PubChem CID155555398
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC NameN-[4-(dimethylamino)phenyl]-5-methyl-3-(3-nitrophenyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2cccc([N+](=O)[O-])c2)c1C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C19H18N4O4/c1-12-17(19(24)20-14-7-9-15(10-8-14)22(2)3)18(21-27-12)13-5-4-6-16(11-13)23(25)26/h4-11H,1-3H3,(H,20,24)
InChIKeyYFXWHCJIYKHOJW-UHFFFAOYSA-N
XLogP3.88
TPSA101.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)phenyl]-3-nitrobenzamide
CID 870378
5-methyl-N'-(3-nitrobenzoyl)-3-phenyl-1,2-oxazole-4-carbohydrazide
CID 9033711
N-[4-(dimethylamino)phenyl]-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 43953558
N-[3-(dimethylcarbamoyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 32850824
N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805851
3-tert-butyl-N-[4-(dimethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110424690
N-[4-(3-nitrophenyl)phenyl]benzamide
CID 173440643
3-(3-bromophenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805638
2-[(Z)-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)hydrazinylidene]methyl]-4-nitrophenolate
CID 7046258
2-chloro-N-[4-(dimethylamino)phenyl]-5-nitrobenzamide
CID 874261
N-(3-chlorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 873609
N-[3-(diethylcarbamoyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 26070791

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-5-methyl-3-(3-nitrophenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-5-methyl-3-(3-nitrophenyl)-1,2-oxazole-4-carboxamide (CID 155555398) is N-[4-(dimethylamino)phenyl]-5-methyl-3-(3-nitrophenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-5-methyl-3-(3-nitrophenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-5-methyl-3-(3-nitrophenyl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2cccc([N+](=O)[O-])c2)c1C(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-5-methyl-3-(3-nitrophenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is YFXWHCJIYKHOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-12-17(19(24)20-14-7-9-15(10-8-14)22(2)3)18(21-27-12)13-5-4-6-16(11-13)23(25)26/h4-11H,1-3H3,(H,20,24).
What are the key properties of N-[4-(dimethylamino)phenyl]-5-methyl-3-(3-nitrophenyl)-1,2-oxazole-4-carboxamide?
N-[4-(dimethylamino)phenyl]-5-methyl-3-(3-nitrophenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 366.38 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-5-methyl-3-(3-nitrophenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 155555398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).