2-(4-nitrophenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide

C21H15N3O4 — CID 3013317

IUPAC2-(4-nitrophenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc2oc(-c3ccccc3)nc2c1
InChIInChI=1S/C21H15N3O4/c25-20(12-14-6-9-17(10-7-14)24(26)27)22-16-8-11-19-18(13-16)23-21(28-19)15-4-2-1-3-5-15/h1-11,13H,12H2,(H,22,25)
InChIKeyMPDGLEUSXMLQOF-UHFFFAOYSA-N
MW373.37 g/mol
LogP4.58
Rot. Bonds5

About 2-(4-nitrophenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide

2-(4-nitrophenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide (PubChem CID 3013317) has the molecular formula C21H15N3O4 and a molecular weight of 373.37 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
PubChem CID3013317
Molecular FormulaC21H15N3O4
Molecular Weight373.37 g/mol
Exact Mass373.11
IUPAC Name2-(4-nitrophenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc2oc(-c3ccccc3)nc2c1
InChIInChI=1S/C21H15N3O4/c25-20(12-14-6-9-17(10-7-14)24(26)27)22-16-8-11-19-18(13-16)23-21(28-19)15-4-2-1-3-5-15/h1-11,13H,12H2,(H,22,25)
InChIKeyMPDGLEUSXMLQOF-UHFFFAOYSA-N
XLogP4.58
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-(4-nitrophenyl)acetamide
CID 10982042
2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 3013315
2-(4-nitrophenyl)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 17359672
2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1348156
4-nitro-N-[4-(5-nitro-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 3331764
2-(4-ethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 1323526
N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 23960391
2-(benzylamino)-N-[4-[5-[[2-(benzylamino)acetyl]amino]-1,3-benzoxazol-2-yl]phenyl]acetamide
CID 3816476
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 21211482
2-(3,5-dimethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 1335782
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 17117249
N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-(3-nitrophenyl)acetamide
CID 122148357

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of 2-(4-nitrophenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide (CID 3013317) is 2-(4-nitrophenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-nitrophenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for 2-(4-nitrophenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc2oc(-c3ccccc3)nc2c1.
What is the InChIKey of 2-(4-nitrophenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is MPDGLEUSXMLQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O4/c25-20(12-14-6-9-17(10-7-14)24(26)27)22-16-8-11-19-18(13-16)23-21(28-19)15-4-2-1-3-5-15/h1-11,13H,12H2,(H,22,25).
What are the key properties of 2-(4-nitrophenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide?
2-(4-nitrophenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 373.37 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 3013317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).