2-chloro-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide

C10H7ClN4O4 — CID 114185998

IUPAC2-chloro-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccno1)c1cc([N+](=O)[O-])cnc1Cl
InChIInChI=1S/C10H7ClN4O4/c11-9-8(3-6(4-12-9)15(17)18)10(16)13-5-7-1-2-14-19-7/h1-4H,5H2,(H,13,16)
InChIKeyVRPGMKLBMOFYGI-UHFFFAOYSA-N
MW282.64 g/mol
LogP1.56
Rot. Bonds4

About 2-chloro-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide

2-chloro-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide (PubChem CID 114185998) has the molecular formula C10H7ClN4O4 and a molecular weight of 282.64 g/mol. Its IUPAC name is 2-chloro-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide
PubChem CID114185998
Molecular FormulaC10H7ClN4O4
Molecular Weight282.64 g/mol
Exact Mass282.02
IUPAC Name2-chloro-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccno1)c1cc([N+](=O)[O-])cnc1Cl
InChIInChI=1S/C10H7ClN4O4/c11-9-8(3-6(4-12-9)15(17)18)10(16)13-5-7-1-2-14-19-7/h1-4H,5H2,(H,13,16)
InChIKeyVRPGMKLBMOFYGI-UHFFFAOYSA-N
XLogP1.56
TPSA111.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.64
LogP ≤ 51.56
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

2-bromo-5-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106415796
2-chloro-5-nitro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 103803189
2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-5-nitropyridine-3-carboxamide
CID 103803639
2-chloro-N-[(5-methylthiophen-2-yl)methyl]-5-nitropyridine-3-carboxamide
CID 103803661
2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide
CID 104600464
3-chloro-2-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 104600434
2-chloro-N-[(3-methylphenyl)methyl]-5-nitropyridine-3-carboxamide
CID 103803534
2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-nitropyridine-3-carboxamide
CID 103817210
2-chloro-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide
CID 103803211
2-(methylamino)-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide
CID 106423055
4-amino-3-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 103939713
2-chloro-N-[2-(methylamino)-2-oxoethyl]-5-nitropyridine-3-carboxamide
CID 103803521

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide (CID 114185998) is 2-chloro-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide is O=C(NCc1ccno1)c1cc([N+](=O)[O-])cnc1Cl.
What is the InChIKey of 2-chloro-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide?
The InChIKey is VRPGMKLBMOFYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O4/c11-9-8(3-6(4-12-9)15(17)18)10(16)13-5-7-1-2-14-19-7/h1-4H,5H2,(H,13,16).
What are the key properties of 2-chloro-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide?
2-chloro-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide has a molecular weight of 282.64 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 114185998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).