[5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone

C17H20N2O4 — CID 24790673

IUPAC[5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(C)c(OCc2cc(C(=O)N3CCOCC3)no2)c1
InChIInChI=1S/C17H20N2O4/c1-12-3-4-13(2)16(9-12)22-11-14-10-15(18-23-14)17(20)19-5-7-21-8-6-19/h3-4,9-10H,5-8,11H2,1-2H3
InChIKeyQVHIVYUVGXEVPN-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.34
Rot. Bonds4

About [5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone

[5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 24790673) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is [5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
PubChem CID24790673
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name[5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(C)c(OCc2cc(C(=O)N3CCOCC3)no2)c1
InChIInChI=1S/C17H20N2O4/c1-12-3-4-13(2)16(9-12)22-11-14-10-15(18-23-14)17(20)19-5-7-21-8-6-19/h3-4,9-10H,5-8,11H2,1-2H3
InChIKeyQVHIVYUVGXEVPN-UHFFFAOYSA-N
XLogP2.34
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone (CID 24790673) is [5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone is Cc1ccc(C)c(OCc2cc(C(=O)N3CCOCC3)no2)c1.
What is the InChIKey of [5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is QVHIVYUVGXEVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-12-3-4-13(2)16(9-12)22-11-14-10-15(18-23-14)17(20)19-5-7-21-8-6-19/h3-4,9-10H,5-8,11H2,1-2H3.
What are the key properties of [5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
[5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 316.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 24790673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).