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

C14H17N3O3 — CID 103912148

IUPACN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2-nitrophenyl)ethanamine
SMILESCc1cnc(C(C)NC(C)c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C14H17N3O3/c1-9-8-15-14(20-9)11(3)16-10(2)12-6-4-5-7-13(12)17(18)19/h4-8,10-11,16H,1-3H3
InChIKeyOVTVIWAYBJQFHJ-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.30
Rot. Bonds5

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

N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2-nitrophenyl)ethanamine (PubChem CID 103912148) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2-nitrophenyl)ethanamine.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2-nitrophenyl)ethanamine
PubChem CID103912148
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2-nitrophenyl)ethanamine
SMILESCc1cnc(C(C)NC(C)c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C14H17N3O3/c1-9-8-15-14(20-9)11(3)16-10(2)12-6-4-5-7-13(12)17(18)19/h4-8,10-11,16H,1-3H3
InChIKeyOVTVIWAYBJQFHJ-UHFFFAOYSA-N
XLogP3.30
TPSA81.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.30
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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Related Compounds

1-(2-chlorophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine
CID 103893469
N-[1-(2-nitrophenyl)ethyl]propan-2-amine
CID 43147503
N-[(2-fluoro-3-nitrophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 106388189
2-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-nitrobenzamide
CID 106551661
5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitropyridin-2-amine
CID 106388838
1-(2-nitrophenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 43147647
(1R)-1-(4-chlorophenyl)-N-[1-(2-nitrophenyl)ethyl]ethanamine
CID 81349871
(1S)-1-(4-fluorophenyl)-N-[1-(2-nitrophenyl)ethyl]ethanamine
CID 81348173
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-nitropyridin-3-amine
CID 103946656
4-methoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-nitroaniline
CID 103946648
N-[(5-methylfuran-2-yl)methyl]-1-(2-nitrophenyl)ethanamine
CID 55081882
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 103893462

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2-nitrophenyl)ethanamine?
The IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2-nitrophenyl)ethanamine (CID 103912148) is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2-nitrophenyl)ethanamine.
What is the SMILES notation for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2-nitrophenyl)ethanamine?
The canonical SMILES for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2-nitrophenyl)ethanamine is Cc1cnc(C(C)NC(C)c2ccccc2[N+](=O)[O-])o1.
What is the InChIKey of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2-nitrophenyl)ethanamine?
The InChIKey is OVTVIWAYBJQFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9-8-15-14(20-9)11(3)16-10(2)12-6-4-5-7-13(12)17(18)19/h4-8,10-11,16H,1-3H3.
What are the key properties of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2-nitrophenyl)ethanamine?
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2-nitrophenyl)ethanamine has a molecular weight of 275.31 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2-nitrophenyl)ethanamine is sourced from PubChem (CID 103912148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).