(5-methyl-2-phenyl-1,3-oxazol-4-yl)-(5-nitro-1-benzofuran-2-yl)methanone

C19H12N2O5 — CID 10497900

IUPAC(5-methyl-2-phenyl-1,3-oxazol-4-yl)-(5-nitro-1-benzofuran-2-yl)methanone
SMILESCc1oc(-c2ccccc2)nc1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1
InChIInChI=1S/C19H12N2O5/c1-11-17(20-19(25-11)12-5-3-2-4-6-12)18(22)16-10-13-9-14(21(23)24)7-8-15(13)26-16/h2-10H,1H3
InChIKeyDJZBWLWJKZYUME-UHFFFAOYSA-N
MW348.31 g/mol
LogP4.54
Rot. Bonds4

About (5-methyl-2-phenyl-1,3-oxazol-4-yl)-(5-nitro-1-benzofuran-2-yl)methanone

(5-methyl-2-phenyl-1,3-oxazol-4-yl)-(5-nitro-1-benzofuran-2-yl)methanone (PubChem CID 10497900) has the molecular formula C19H12N2O5 and a molecular weight of 348.31 g/mol. Its IUPAC name is (5-methyl-2-phenyl-1,3-oxazol-4-yl)-(5-nitro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)-(5-nitro-1-benzofuran-2-yl)methanone
PubChem CID10497900
Molecular FormulaC19H12N2O5
Molecular Weight348.31 g/mol
Exact Mass348.07
IUPAC Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)-(5-nitro-1-benzofuran-2-yl)methanone
SMILESCc1oc(-c2ccccc2)nc1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1
InChIInChI=1S/C19H12N2O5/c1-11-17(20-19(25-11)12-5-3-2-4-6-12)18(22)16-10-13-9-14(21(23)24)7-8-15(13)26-16/h2-10H,1H3
InChIKeyDJZBWLWJKZYUME-UHFFFAOYSA-N
XLogP4.54
TPSA99.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 54.54
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-methyl-2-(3-nitrophenyl)-1,3-oxazole-4-carboxylic acid
CID 62232635
5-[[2-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 88623049
(4-hydroxyphenyl)-(5-nitro-1-benzofuran-2-yl)methanone
CID 154334241
(4-methoxyphenyl)-(5-nitro-1-benzofuran-2-yl)methanone
CID 2728228
benzyl 5-nitro-1-benzofuran-2-carboxylate
CID 77230405
5-methyl-2-(4-nitrophenyl)-4-phenyl-1,3-oxazole
CID 57465372
[(2S)-1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 41185300
5-nitro-1-benzofuran-2-carbohydrazide
CID 30772172
(5-nitro-1-benzofuran-2-yl)-[4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]methanone
CID 23906151
(5-nitro-1-benzofuran-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 142529081
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-chloro-4-nitrobenzoate
CID 16961571
N-[(E)-benzylideneamino]-5-nitro-1-benzofuran-2-carboxamide
CID 121005396

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)-(5-nitro-1-benzofuran-2-yl)methanone?
The IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)-(5-nitro-1-benzofuran-2-yl)methanone (CID 10497900) is (5-methyl-2-phenyl-1,3-oxazol-4-yl)-(5-nitro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (5-methyl-2-phenyl-1,3-oxazol-4-yl)-(5-nitro-1-benzofuran-2-yl)methanone?
The canonical SMILES for (5-methyl-2-phenyl-1,3-oxazol-4-yl)-(5-nitro-1-benzofuran-2-yl)methanone is Cc1oc(-c2ccccc2)nc1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1.
What is the InChIKey of (5-methyl-2-phenyl-1,3-oxazol-4-yl)-(5-nitro-1-benzofuran-2-yl)methanone?
The InChIKey is DJZBWLWJKZYUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O5/c1-11-17(20-19(25-11)12-5-3-2-4-6-12)18(22)16-10-13-9-14(21(23)24)7-8-15(13)26-16/h2-10H,1H3.
What are the key properties of (5-methyl-2-phenyl-1,3-oxazol-4-yl)-(5-nitro-1-benzofuran-2-yl)methanone?
(5-methyl-2-phenyl-1,3-oxazol-4-yl)-(5-nitro-1-benzofuran-2-yl)methanone has a molecular weight of 348.31 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-phenyl-1,3-oxazol-4-yl)-(5-nitro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 10497900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).