N-[2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethyl]-N-propan-2-ylpropan-2-amine

C24H30N2O3 — CID 54584394

IUPACN-[2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCOc1ccc(-c2cc(-c3ccccc3)no2)c(OCCN(C(C)C)C(C)C)c1
InChIInChI=1S/C24H30N2O3/c1-17(2)26(18(3)4)13-14-28-23-15-20(27-5)11-12-21(23)24-16-22(25-29-24)19-9-7-6-8-10-19/h6-12,15-18H,13-14H2,1-5H3
InChIKeyGVVUFEQNFLRMNU-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.51
Rot. Bonds9

About N-[2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethyl]-N-propan-2-ylpropan-2-amine

N-[2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 54584394) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethyl]-N-propan-2-ylpropan-2-amine
PubChem CID54584394
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-[2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCOc1ccc(-c2cc(-c3ccccc3)no2)c(OCCN(C(C)C)C(C)C)c1
InChIInChI=1S/C24H30N2O3/c1-17(2)26(18(3)4)13-14-28-23-15-20(27-5)11-12-21(23)24-16-22(25-29-24)19-9-7-6-8-10-19/h6-12,15-18H,13-14H2,1-5H3
InChIKeyGVVUFEQNFLRMNU-UHFFFAOYSA-N
XLogP5.51
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethyl]-N-propan-2-ylpropan-2-amine (CID 54584394) is N-[2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethyl]-N-propan-2-ylpropan-2-amine is COc1ccc(-c2cc(-c3ccccc3)no2)c(OCCN(C(C)C)C(C)C)c1.
What is the InChIKey of N-[2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is GVVUFEQNFLRMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-17(2)26(18(3)4)13-14-28-23-15-20(27-5)11-12-21(23)24-16-22(25-29-24)19-9-7-6-8-10-19/h6-12,15-18H,13-14H2,1-5H3.
What are the key properties of N-[2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethyl]-N-propan-2-ylpropan-2-amine?
N-[2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 394.52 g/mol, XLogP of 5.51, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 54584394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).