N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-(3-nitrophenyl)acetamide

C17H15N3O5 — CID 122148357

IUPACN-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-(3-nitrophenyl)acetamide
SMILESCOCc1nc2cc(NC(=O)Cc3cccc([N+](=O)[O-])c3)ccc2o1
InChIInChI=1S/C17H15N3O5/c1-24-10-17-19-14-9-12(5-6-15(14)25-17)18-16(21)8-11-3-2-4-13(7-11)20(22)23/h2-7,9H,8,10H2,1H3,(H,18,21)
InChIKeyCURDFNLMCDOCMA-UHFFFAOYSA-N
MW341.32 g/mol
LogP3.06
Rot. Bonds6

About N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-(3-nitrophenyl)acetamide

N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-(3-nitrophenyl)acetamide (PubChem CID 122148357) has the molecular formula C17H15N3O5 and a molecular weight of 341.32 g/mol. Its IUPAC name is N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-(3-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-(3-nitrophenyl)acetamide
PubChem CID122148357
Molecular FormulaC17H15N3O5
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC NameN-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-(3-nitrophenyl)acetamide
SMILESCOCc1nc2cc(NC(=O)Cc3cccc([N+](=O)[O-])c3)ccc2o1
InChIInChI=1S/C17H15N3O5/c1-24-10-17-19-14-9-12(5-6-15(14)25-17)18-16(21)8-11-3-2-4-13(7-11)20(22)23/h2-7,9H,8,10H2,1H3,(H,18,21)
InChIKeyCURDFNLMCDOCMA-UHFFFAOYSA-N
XLogP3.06
TPSA107.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
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

7-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]heptanamide;hydrochloride
CID 119815437
2-(4-nitrophenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 3013317
5-tert-butyl-2-[(3-nitrophenyl)methyl]-1,3-benzoxazole
CID 53418564
(2R)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(3-nitrophenyl)propanamide
CID 25473815
3-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-methylbutanamide;hydrochloride
CID 120502106
2-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-3-methylpentanamide
CID 119815470
3-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-methyl-3-phenylpropanamide
CID 119815454
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-chloro-4-nitrobenzamide
CID 17163184
2-(3,4-dichlorophenyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)acetamide
CID 52717820
N-(6-methoxy-2-methyl-3-pyridinyl)-2-(3-nitrophenyl)acetamide
CID 71919211
1-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]cyclohexane-1-carboxamide
CID 119341847
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-(4-nitrophenyl)acetamide
CID 10982042

Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-(3-nitrophenyl)acetamide?
The IUPAC name of N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-(3-nitrophenyl)acetamide (CID 122148357) is N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-(3-nitrophenyl)acetamide.
What is the SMILES notation for N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-(3-nitrophenyl)acetamide?
The canonical SMILES for N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-(3-nitrophenyl)acetamide is COCc1nc2cc(NC(=O)Cc3cccc([N+](=O)[O-])c3)ccc2o1.
What is the InChIKey of N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-(3-nitrophenyl)acetamide?
The InChIKey is CURDFNLMCDOCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5/c1-24-10-17-19-14-9-12(5-6-15(14)25-17)18-16(21)8-11-3-2-4-13(7-11)20(22)23/h2-7,9H,8,10H2,1H3,(H,18,21).
What are the key properties of N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-(3-nitrophenyl)acetamide?
N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-(3-nitrophenyl)acetamide has a molecular weight of 341.32 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-(3-nitrophenyl)acetamide is sourced from PubChem (CID 122148357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).