(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone

C17H28N2O3 — CID 45230778

IUPAC(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone
SMILESCCc1nc(C)c(C(=O)N2CCOC(CCCC(C)C)C2)o1
InChIInChI=1S/C17H28N2O3/c1-5-15-18-13(4)16(22-15)17(20)19-9-10-21-14(11-19)8-6-7-12(2)3/h12,14H,5-11H2,1-4H3
InChIKeyUTXNXTVYXGSIOU-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.21
Rot. Bonds6

About (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone

(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone (PubChem CID 45230778) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone
PubChem CID45230778
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone
SMILESCCc1nc(C)c(C(=O)N2CCOC(CCCC(C)C)C2)o1
InChIInChI=1S/C17H28N2O3/c1-5-15-18-13(4)16(22-15)17(20)19-9-10-21-14(11-19)8-6-7-12(2)3/h12,14H,5-11H2,1-4H3
InChIKeyUTXNXTVYXGSIOU-UHFFFAOYSA-N
XLogP3.21
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone?
The IUPAC name of (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone (CID 45230778) is (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone.
What is the SMILES notation for (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone?
The canonical SMILES for (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone is CCc1nc(C)c(C(=O)N2CCOC(CCCC(C)C)C2)o1.
What is the InChIKey of (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone?
The InChIKey is UTXNXTVYXGSIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-5-15-18-13(4)16(22-15)17(20)19-9-10-21-14(11-19)8-6-7-12(2)3/h12,14H,5-11H2,1-4H3.
What are the key properties of (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone?
(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone has a molecular weight of 308.42 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone is sourced from PubChem (CID 45230778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).