N-methyl-2-[2-[3-(3-nitrophenyl)-1,2-oxazol-5-yl]propan-2-yl]aniline

C19H19N3O3 — CID 2323538

IUPACN-methyl-2-[2-[3-(3-nitrophenyl)-1,2-oxazol-5-yl]propan-2-yl]aniline
SMILESCNc1ccccc1C(C)(C)c1cc(-c2cccc([N+](=O)[O-])c2)no1
InChIInChI=1S/C19H19N3O3/c1-19(2,15-9-4-5-10-16(15)20-3)18-12-17(21-25-18)13-7-6-8-14(11-13)22(23)24/h4-12,20H,1-3H3
InChIKeyNMFPPHUCMSUCJL-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.62
Rot. Bonds5

About N-methyl-2-[2-[3-(3-nitrophenyl)-1,2-oxazol-5-yl]propan-2-yl]aniline

N-methyl-2-[2-[3-(3-nitrophenyl)-1,2-oxazol-5-yl]propan-2-yl]aniline (PubChem CID 2323538) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-methyl-2-[2-[3-(3-nitrophenyl)-1,2-oxazol-5-yl]propan-2-yl]aniline.

Molecular Properties

Compound NameN-methyl-2-[2-[3-(3-nitrophenyl)-1,2-oxazol-5-yl]propan-2-yl]aniline
PubChem CID2323538
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-methyl-2-[2-[3-(3-nitrophenyl)-1,2-oxazol-5-yl]propan-2-yl]aniline
SMILESCNc1ccccc1C(C)(C)c1cc(-c2cccc([N+](=O)[O-])c2)no1
InChIInChI=1S/C19H19N3O3/c1-19(2,15-9-4-5-10-16(15)20-3)18-12-17(21-25-18)13-7-6-8-14(11-13)22(23)24/h4-12,20H,1-3H3
InChIKeyNMFPPHUCMSUCJL-UHFFFAOYSA-N
XLogP4.62
TPSA81.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.62
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[3-(3-nitrophenyl)-1,2-oxazol-5-yl]propan-2-yl]aniline?
The IUPAC name of N-methyl-2-[2-[3-(3-nitrophenyl)-1,2-oxazol-5-yl]propan-2-yl]aniline (CID 2323538) is N-methyl-2-[2-[3-(3-nitrophenyl)-1,2-oxazol-5-yl]propan-2-yl]aniline.
What is the SMILES notation for N-methyl-2-[2-[3-(3-nitrophenyl)-1,2-oxazol-5-yl]propan-2-yl]aniline?
The canonical SMILES for N-methyl-2-[2-[3-(3-nitrophenyl)-1,2-oxazol-5-yl]propan-2-yl]aniline is CNc1ccccc1C(C)(C)c1cc(-c2cccc([N+](=O)[O-])c2)no1.
What is the InChIKey of N-methyl-2-[2-[3-(3-nitrophenyl)-1,2-oxazol-5-yl]propan-2-yl]aniline?
The InChIKey is NMFPPHUCMSUCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-19(2,15-9-4-5-10-16(15)20-3)18-12-17(21-25-18)13-7-6-8-14(11-13)22(23)24/h4-12,20H,1-3H3.
What are the key properties of N-methyl-2-[2-[3-(3-nitrophenyl)-1,2-oxazol-5-yl]propan-2-yl]aniline?
N-methyl-2-[2-[3-(3-nitrophenyl)-1,2-oxazol-5-yl]propan-2-yl]aniline has a molecular weight of 337.38 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[3-(3-nitrophenyl)-1,2-oxazol-5-yl]propan-2-yl]aniline is sourced from PubChem (CID 2323538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).