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

C15H19N3O3 — CID 65183124

IUPACN-[2-[5-(3-methyl-2-nitrophenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
SMILESCc1cccc(-c2cnc(CCNC(C)C)o2)c1[N+](=O)[O-]
InChIInChI=1S/C15H19N3O3/c1-10(2)16-8-7-14-17-9-13(21-14)12-6-4-5-11(3)15(12)18(19)20/h4-6,9-10,16H,7-8H2,1-3H3
InChIKeyHQXXFXNYSLQWBV-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.10
Rot. Bonds6

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

N-[2-[5-(3-methyl-2-nitrophenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine (PubChem CID 65183124) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[2-[5-(3-methyl-2-nitrophenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[5-(3-methyl-2-nitrophenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
PubChem CID65183124
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-[2-[5-(3-methyl-2-nitrophenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
SMILESCc1cccc(-c2cnc(CCNC(C)C)o2)c1[N+](=O)[O-]
InChIInChI=1S/C15H19N3O3/c1-10(2)16-8-7-14-17-9-13(21-14)12-6-4-5-11(3)15(12)18(19)20/h4-6,9-10,16H,7-8H2,1-3H3
InChIKeyHQXXFXNYSLQWBV-UHFFFAOYSA-N
XLogP3.10
TPSA81.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.10
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-[2-[5-(3-methyl-2-nitrophenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[5-(3-methyl-2-nitrophenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine (CID 65183124) is N-[2-[5-(3-methyl-2-nitrophenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[5-(3-methyl-2-nitrophenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[5-(3-methyl-2-nitrophenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine is Cc1cccc(-c2cnc(CCNC(C)C)o2)c1[N+](=O)[O-].
What is the InChIKey of N-[2-[5-(3-methyl-2-nitrophenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine?
The InChIKey is HQXXFXNYSLQWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10(2)16-8-7-14-17-9-13(21-14)12-6-4-5-11(3)15(12)18(19)20/h4-6,9-10,16H,7-8H2,1-3H3.
What are the key properties of N-[2-[5-(3-methyl-2-nitrophenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine?
N-[2-[5-(3-methyl-2-nitrophenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine has a molecular weight of 289.33 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(3-methyl-2-nitrophenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 65183124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).