2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-5-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C16H15ClN4O5 — CID 4092926

IUPAC2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-5-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCc1cc(N(CN2CCCC2=O)C(=O)c2cc([N+](=O)[O-])ccc2Cl)no1
InChIInChI=1S/C16H15ClN4O5/c1-10-7-14(18-26-10)20(9-19-6-2-3-15(19)22)16(23)12-8-11(21(24)25)4-5-13(12)17/h4-5,7-8H,2-3,6,9H2,1H3
InChIKeyNVTWDPMYOHVAFX-UHFFFAOYSA-N
MW378.77 g/mol
LogP2.77
Rot. Bonds5

About 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-5-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide

2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-5-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 4092926) has the molecular formula C16H15ClN4O5 and a molecular weight of 378.77 g/mol. Its IUPAC name is 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-5-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-5-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID4092926
Molecular FormulaC16H15ClN4O5
Molecular Weight378.77 g/mol
Exact Mass378.07
IUPAC Name2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-5-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCc1cc(N(CN2CCCC2=O)C(=O)c2cc([N+](=O)[O-])ccc2Cl)no1
InChIInChI=1S/C16H15ClN4O5/c1-10-7-14(18-26-10)20(9-19-6-2-3-15(19)22)16(23)12-8-11(21(24)25)4-5-13(12)17/h4-5,7-8H,2-3,6,9H2,1H3
InChIKeyNVTWDPMYOHVAFX-UHFFFAOYSA-N
XLogP2.77
TPSA109.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.77
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

5-bromo-2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 5076112
3-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3241595
4-chloro-3-nitro-N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4098524
5-bromo-2-chloro-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4301432
2-bromo-N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4275302
3,4-dimethoxy-N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4256667
4-[(4-nitrobenzoyl)-[(2-oxopyrrolidin-1-yl)methyl]amino]benzamide
CID 3429807
2-chloro-4-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 34841380
4-chloro-N-(3-chlorophenyl)-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3576394
N-[(2-chloro-5-nitrophenyl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 51298851
N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-phenylacetamide
CID 5051528
N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-(trifluoromethyl)benzamide
CID 4082079

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-5-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-5-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 4092926) is 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-5-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-5-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-5-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide is Cc1cc(N(CN2CCCC2=O)C(=O)c2cc([N+](=O)[O-])ccc2Cl)no1.
What is the InChIKey of 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-5-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is NVTWDPMYOHVAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O5/c1-10-7-14(18-26-10)20(9-19-6-2-3-15(19)22)16(23)12-8-11(21(24)25)4-5-13(12)17/h4-5,7-8H,2-3,6,9H2,1H3.
What are the key properties of 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-5-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-5-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 378.77 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-5-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 4092926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).