N-ethyl-1-[5-(4-methoxy-3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine

C14H17N3O4 — CID 65181398

IUPACN-ethyl-1-[5-(4-methoxy-3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine
SMILESCCNC(C)c1ncc(-c2ccc(OC)c([N+](=O)[O-])c2)o1
InChIInChI=1S/C14H17N3O4/c1-4-15-9(2)14-16-8-13(21-14)10-5-6-12(20-3)11(7-10)17(18)19/h5-9,15H,4H2,1-3H3
InChIKeyFOGFUVJQHUPUNB-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.93
Rot. Bonds6

About N-ethyl-1-[5-(4-methoxy-3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine

N-ethyl-1-[5-(4-methoxy-3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 65181398) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-ethyl-1-[5-(4-methoxy-3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-(4-methoxy-3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine
PubChem CID65181398
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC NameN-ethyl-1-[5-(4-methoxy-3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine
SMILESCCNC(C)c1ncc(-c2ccc(OC)c([N+](=O)[O-])c2)o1
InChIInChI=1S/C14H17N3O4/c1-4-15-9(2)14-16-8-13(21-14)10-5-6-12(20-3)11(7-10)17(18)19/h5-9,15H,4H2,1-3H3
InChIKeyFOGFUVJQHUPUNB-UHFFFAOYSA-N
XLogP2.93
TPSA90.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
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

N-ethyl-1-[5-(4-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65181699
N-ethyl-1-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65181244
N-ethyl-1-[5-(5-nitrofuran-2-yl)-1,3-oxazol-2-yl]ethanamine
CID 65181239
N-ethyl-1-[5-(2-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65181338
1-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65181194
N-ethyl-1-[5-(3-iodophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65181501
5-(3,4-dimethoxyphenyl)-2-propan-2-yl-1,3-oxazole
CID 13268419
N-ethyl-1-[5-(2-methoxy-4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 104784686
1-[5-(4-methoxy-3-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 55035005
N-[[5-(4-methoxy-3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 62139036
1-[5-(5-chlorofuran-2-yl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 106690342
5,6,7,8-tetramethoxy-2-(4-methoxy-3-nitrophenyl)chromen-4-one
CID 44583489

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(4-methoxy-3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of N-ethyl-1-[5-(4-methoxy-3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine (CID 65181398) is N-ethyl-1-[5-(4-methoxy-3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-(4-methoxy-3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-(4-methoxy-3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine is CCNC(C)c1ncc(-c2ccc(OC)c([N+](=O)[O-])c2)o1.
What is the InChIKey of N-ethyl-1-[5-(4-methoxy-3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is FOGFUVJQHUPUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-4-15-9(2)14-16-8-13(21-14)10-5-6-12(20-3)11(7-10)17(18)19/h5-9,15H,4H2,1-3H3.
What are the key properties of N-ethyl-1-[5-(4-methoxy-3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine?
N-ethyl-1-[5-(4-methoxy-3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 291.31 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(4-methoxy-3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 65181398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).