2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-nitropyridine-3-carboxamide

C12H11ClN4O4 — CID 106388118

IUPAC2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-nitropyridine-3-carboxamide
SMILESCc1cnc(C(C)NC(=O)c2cc([N+](=O)[O-])cnc2Cl)o1
InChIInChI=1S/C12H11ClN4O4/c1-6-4-15-12(21-6)7(2)16-11(18)9-3-8(17(19)20)5-14-10(9)13/h3-5,7H,1-2H3,(H,16,18)
InChIKeyRKBHXBFQZDIERG-UHFFFAOYSA-N
MW310.70 g/mol
LogP2.43
Rot. Bonds4

About 2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-nitropyridine-3-carboxamide

2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-nitropyridine-3-carboxamide (PubChem CID 106388118) has the molecular formula C12H11ClN4O4 and a molecular weight of 310.70 g/mol. Its IUPAC name is 2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-nitropyridine-3-carboxamide
PubChem CID106388118
Molecular FormulaC12H11ClN4O4
Molecular Weight310.70 g/mol
Exact Mass310.05
IUPAC Name2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-nitropyridine-3-carboxamide
SMILESCc1cnc(C(C)NC(=O)c2cc([N+](=O)[O-])cnc2Cl)o1
InChIInChI=1S/C12H11ClN4O4/c1-6-4-15-12(21-6)7(2)16-11(18)9-3-8(17(19)20)5-14-10(9)13/h3-5,7H,1-2H3,(H,16,18)
InChIKeyRKBHXBFQZDIERG-UHFFFAOYSA-N
XLogP2.43
TPSA111.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.70
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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

methyl (2S)-2-[(2-chloro-5-nitropyridine-3-carbonyl)amino]propanoate
CID 103803511
4-chloro-6-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-3-carboxamide
CID 103949111
2-chloro-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide
CID 103803211
2-chloro-N-[(2R)-1-hydroxybutan-2-yl]-5-nitropyridine-3-carboxamide
CID 114046633
5-chloro-2-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 103949119
2-chloro-N-(dicyclopropylmethyl)-5-nitropyridine-3-carboxamide
CID 103803498
2-chloro-5-nitro-N-pent-1-yn-3-ylpyridine-3-carboxamide
CID 106228673
2-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-nitrobenzamide
CID 106551661
2-chloro-N-(2-cyanopropyl)-5-nitropyridine-3-carboxamide
CID 103803947
2-chloro-5-nitro-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 103821297
6-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-nitropyrimidin-4-amine
CID 114182515
5-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitroaniline
CID 106388804

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-nitropyridine-3-carboxamide (CID 106388118) is 2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-nitropyridine-3-carboxamide is Cc1cnc(C(C)NC(=O)c2cc([N+](=O)[O-])cnc2Cl)o1.
What is the InChIKey of 2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-nitropyridine-3-carboxamide?
The InChIKey is RKBHXBFQZDIERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O4/c1-6-4-15-12(21-6)7(2)16-11(18)9-3-8(17(19)20)5-14-10(9)13/h3-5,7H,1-2H3,(H,16,18).
What are the key properties of 2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-nitropyridine-3-carboxamide?
2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-nitropyridine-3-carboxamide has a molecular weight of 310.70 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 106388118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).