[3-(2-ethyl-1,3-oxazol-4-yl)-1,2-benzoxazol-5-yl]-morpholin-4-ylmethanone

C17H17N3O4 — CID 97410682

IUPAC[3-(2-ethyl-1,3-oxazol-4-yl)-1,2-benzoxazol-5-yl]-morpholin-4-ylmethanone
SMILESCCc1nc(-c2noc3ccc(C(=O)N4CCOCC4)cc23)co1
InChIInChI=1S/C17H17N3O4/c1-2-15-18-13(10-23-15)16-12-9-11(3-4-14(12)24-19-16)17(21)20-5-7-22-8-6-20/h3-4,9-10H,2,5-8H2,1H3
InChIKeyXBKSRNJAADTPME-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.52
Rot. Bonds3

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

[3-(2-ethyl-1,3-oxazol-4-yl)-1,2-benzoxazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 97410682) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is [3-(2-ethyl-1,3-oxazol-4-yl)-1,2-benzoxazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(2-ethyl-1,3-oxazol-4-yl)-1,2-benzoxazol-5-yl]-morpholin-4-ylmethanone
PubChem CID97410682
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name[3-(2-ethyl-1,3-oxazol-4-yl)-1,2-benzoxazol-5-yl]-morpholin-4-ylmethanone
SMILESCCc1nc(-c2noc3ccc(C(=O)N4CCOCC4)cc23)co1
InChIInChI=1S/C17H17N3O4/c1-2-15-18-13(10-23-15)16-12-9-11(3-4-14(12)24-19-16)17(21)20-5-7-22-8-6-20/h3-4,9-10H,2,5-8H2,1H3
InChIKeyXBKSRNJAADTPME-UHFFFAOYSA-N
XLogP2.52
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(2-ethyl-1,3-oxazol-4-yl)-1,2-benzoxazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(2-ethyl-1,3-oxazol-4-yl)-1,2-benzoxazol-5-yl]-morpholin-4-ylmethanone (CID 97410682) is [3-(2-ethyl-1,3-oxazol-4-yl)-1,2-benzoxazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(2-ethyl-1,3-oxazol-4-yl)-1,2-benzoxazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(2-ethyl-1,3-oxazol-4-yl)-1,2-benzoxazol-5-yl]-morpholin-4-ylmethanone is CCc1nc(-c2noc3ccc(C(=O)N4CCOCC4)cc23)co1.
What is the InChIKey of [3-(2-ethyl-1,3-oxazol-4-yl)-1,2-benzoxazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is XBKSRNJAADTPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-2-15-18-13(10-23-15)16-12-9-11(3-4-14(12)24-19-16)17(21)20-5-7-22-8-6-20/h3-4,9-10H,2,5-8H2,1H3.
What are the key properties of [3-(2-ethyl-1,3-oxazol-4-yl)-1,2-benzoxazol-5-yl]-morpholin-4-ylmethanone?
[3-(2-ethyl-1,3-oxazol-4-yl)-1,2-benzoxazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 327.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethyl-1,3-oxazol-4-yl)-1,2-benzoxazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 97410682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).