N-(3-methyl-1,2-oxazol-5-yl)-3-(4-nitrophenyl)prop-2-enamide

C13H11N3O4 — CID 75110444

IUPACN-(3-methyl-1,2-oxazol-5-yl)-3-(4-nitrophenyl)prop-2-enamide
SMILESCc1cc(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)on1
InChIInChI=1S/C13H11N3O4/c1-9-8-13(20-15-9)14-12(17)7-4-10-2-5-11(6-3-10)16(18)19/h2-8H,1H3,(H,14,17)
InChIKeySIAXFWPOMUYULK-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.54
Rot. Bonds4

About N-(3-methyl-1,2-oxazol-5-yl)-3-(4-nitrophenyl)prop-2-enamide

N-(3-methyl-1,2-oxazol-5-yl)-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 75110444) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is N-(3-methyl-1,2-oxazol-5-yl)-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-oxazol-5-yl)-3-(4-nitrophenyl)prop-2-enamide
PubChem CID75110444
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC NameN-(3-methyl-1,2-oxazol-5-yl)-3-(4-nitrophenyl)prop-2-enamide
SMILESCc1cc(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)on1
InChIInChI=1S/C13H11N3O4/c1-9-8-13(20-15-9)14-12(17)7-4-10-2-5-11(6-3-10)16(18)19/h2-8H,1H3,(H,14,17)
InChIKeySIAXFWPOMUYULK-UHFFFAOYSA-N
XLogP2.54
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', '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

(E)-N-(3-methyl-1,2-oxazol-5-yl)-3-(3-nitrophenyl)prop-2-enamide
CID 45284592
N-(2-methyl-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 5053841
(E)-N,3-bis(4-nitrophenyl)prop-2-enamide
CID 6147286
(E)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-3-(4-nitrophenyl)prop-2-enamide
CID 55519678
(E)-N-(2-methyl-5-nitrophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 897528
3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]phenyl]prop-2-enoic acid
CID 76907137
3-(4-chlorophenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide
CID 898455
(E)-3-(4-aminophenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide
CID 84553779
3-(4-nitrophenyl)-N-[3-[3-(4-nitrophenyl)prop-2-enoylamino]naphthalen-2-yl]prop-2-enamide
CID 3974611
(E)-3-(4-nitrophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide
CID 6085357
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-nitrophenyl)prop-2-enamide
CID 5253857
2-methyl-N-[3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]phenyl]propanamide
CID 17189316

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-3-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-3-(4-nitrophenyl)prop-2-enamide (CID 75110444) is N-(3-methyl-1,2-oxazol-5-yl)-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for N-(3-methyl-1,2-oxazol-5-yl)-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for N-(3-methyl-1,2-oxazol-5-yl)-3-(4-nitrophenyl)prop-2-enamide is Cc1cc(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)on1.
What is the InChIKey of N-(3-methyl-1,2-oxazol-5-yl)-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is SIAXFWPOMUYULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c1-9-8-13(20-15-9)14-12(17)7-4-10-2-5-11(6-3-10)16(18)19/h2-8H,1H3,(H,14,17).
What are the key properties of N-(3-methyl-1,2-oxazol-5-yl)-3-(4-nitrophenyl)prop-2-enamide?
N-(3-methyl-1,2-oxazol-5-yl)-3-(4-nitrophenyl)prop-2-enamide has a molecular weight of 273.25 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-oxazol-5-yl)-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 75110444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).