5-methyl-N'-(3-nitrobenzoyl)-3-phenyl-1,2-oxazole-4-carbohydrazide

C18H14N4O5 — CID 9033711

IUPAC5-methyl-N'-(3-nitrobenzoyl)-3-phenyl-1,2-oxazole-4-carbohydrazide
SMILESCc1onc(-c2ccccc2)c1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H14N4O5/c1-11-15(16(21-27-11)12-6-3-2-4-7-12)18(24)20-19-17(23)13-8-5-9-14(10-13)22(25)26/h2-10H,1H3,(H,19,23)(H,20,24)
InChIKeyQNIWKPLXQKYYEP-UHFFFAOYSA-N
MW366.33 g/mol
LogP2.63
Rot. Bonds4

About 5-methyl-N'-(3-nitrobenzoyl)-3-phenyl-1,2-oxazole-4-carbohydrazide

5-methyl-N'-(3-nitrobenzoyl)-3-phenyl-1,2-oxazole-4-carbohydrazide (PubChem CID 9033711) has the molecular formula C18H14N4O5 and a molecular weight of 366.33 g/mol. Its IUPAC name is 5-methyl-N'-(3-nitrobenzoyl)-3-phenyl-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound Name5-methyl-N'-(3-nitrobenzoyl)-3-phenyl-1,2-oxazole-4-carbohydrazide
PubChem CID9033711
Molecular FormulaC18H14N4O5
Molecular Weight366.33 g/mol
Exact Mass366.10
IUPAC Name5-methyl-N'-(3-nitrobenzoyl)-3-phenyl-1,2-oxazole-4-carbohydrazide
SMILESCc1onc(-c2ccccc2)c1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H14N4O5/c1-11-15(16(21-27-11)12-6-3-2-4-7-12)18(24)20-19-17(23)13-8-5-9-14(10-13)22(25)26/h2-10H,1H3,(H,19,23)(H,20,24)
InChIKeyQNIWKPLXQKYYEP-UHFFFAOYSA-N
XLogP2.63
TPSA127.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
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

2-[(Z)-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)hydrazinylidene]methyl]-4-nitrophenolate
CID 7046258
(2-chloro-4-nitrophenyl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 71669801
N'-(4-methylbenzoyl)-3-nitrobenzohydrazide
CID 4506110
5-methyl-N'-(2-methylfuran-3-carbonyl)-3-phenyl-1,2-oxazole-4-carbohydrazide
CID 7809111
N-[4-(dimethylamino)phenyl]-5-methyl-3-(3-nitrophenyl)-1,2-oxazole-4-carboxamide
CID 155555398
N'-(4-bromo-1H-pyrrole-2-carbonyl)-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide
CID 31597486
3,5-dimethyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide
CID 9033714
5-chloro-3-methyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide
CID 29259929
N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide
CID 872142
3-nitro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 16866509
N'-(2-bromopropanoyl)-3-nitrobenzohydrazide
CID 3797916
3-nitro-N'-(3-phenylprop-2-enoyl)benzohydrazide
CID 3738377

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N'-(3-nitrobenzoyl)-3-phenyl-1,2-oxazole-4-carbohydrazide?
The IUPAC name of 5-methyl-N'-(3-nitrobenzoyl)-3-phenyl-1,2-oxazole-4-carbohydrazide (CID 9033711) is 5-methyl-N'-(3-nitrobenzoyl)-3-phenyl-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for 5-methyl-N'-(3-nitrobenzoyl)-3-phenyl-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for 5-methyl-N'-(3-nitrobenzoyl)-3-phenyl-1,2-oxazole-4-carbohydrazide is Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 5-methyl-N'-(3-nitrobenzoyl)-3-phenyl-1,2-oxazole-4-carbohydrazide?
The InChIKey is QNIWKPLXQKYYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O5/c1-11-15(16(21-27-11)12-6-3-2-4-7-12)18(24)20-19-17(23)13-8-5-9-14(10-13)22(25)26/h2-10H,1H3,(H,19,23)(H,20,24).
What are the key properties of 5-methyl-N'-(3-nitrobenzoyl)-3-phenyl-1,2-oxazole-4-carbohydrazide?
5-methyl-N'-(3-nitrobenzoyl)-3-phenyl-1,2-oxazole-4-carbohydrazide has a molecular weight of 366.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N'-(3-nitrobenzoyl)-3-phenyl-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 9033711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).