4-nitro-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide

C16H19N3O7 — CID 20864778

IUPAC4-nitro-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2noc(C(C)C)c2[N+](=O)[O-])cc(OC)c1OC
InChIInChI=1S/C16H19N3O7/c1-8(2)14-13(19(21)22)12(18-26-14)16(20)17-9-6-10(23-3)15(25-5)11(7-9)24-4/h6-8H,1-5H3,(H,17,20)
InChIKeyVNUWAWASFQBOKY-UHFFFAOYSA-N
MW365.34 g/mol
LogP2.98
Rot. Bonds7

About 4-nitro-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide

4-nitro-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 20864778) has the molecular formula C16H19N3O7 and a molecular weight of 365.34 g/mol. Its IUPAC name is 4-nitro-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-nitro-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID20864778
Molecular FormulaC16H19N3O7
Molecular Weight365.34 g/mol
Exact Mass365.12
IUPAC Name4-nitro-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2noc(C(C)C)c2[N+](=O)[O-])cc(OC)c1OC
InChIInChI=1S/C16H19N3O7/c1-8(2)14-13(19(21)22)12(18-26-14)16(20)17-9-6-10(23-3)15(25-5)11(7-9)24-4/h6-8H,1-5H3,(H,17,20)
InChIKeyVNUWAWASFQBOKY-UHFFFAOYSA-N
XLogP2.98
TPSA125.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

3-methyl-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide
CID 26700940
4-nitro-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 20864769
4-chloro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide
CID 17095611
3-methyl-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)-1,2-oxazole-4-carbohydrazide
CID 9273624
N-(3,5-difluorophenyl)-3,4,5-trimethoxy-2-nitrobenzamide
CID 27055163
3,4,5-trimethoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 17101962
4-bromo-3-nitro-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26697659
N'-(5-methyl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)propanediamide
CID 108956802
2-amino-5-fluoro-3-nitro-N-(3,4,5-trimethoxyphenyl)benzamide
CID 55825075
2-methyl-4-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 110676464
3,4,5-trimethoxy-N-(6-nitro-3-pyridinyl)benzamide
CID 51045015
5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide
CID 17435427

Frequently Asked Questions

What is the IUPAC name of 4-nitro-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-nitro-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide (CID 20864778) is 4-nitro-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-nitro-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-nitro-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide is COc1cc(NC(=O)c2noc(C(C)C)c2[N+](=O)[O-])cc(OC)c1OC.
What is the InChIKey of 4-nitro-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is VNUWAWASFQBOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O7/c1-8(2)14-13(19(21)22)12(18-26-14)16(20)17-9-6-10(23-3)15(25-5)11(7-9)24-4/h6-8H,1-5H3,(H,17,20).
What are the key properties of 4-nitro-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide?
4-nitro-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 365.34 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 20864778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).