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

C19H30N2O5 — CID 52939316

IUPAC[5-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methyl]-2-methyl-1,3-dioxan-2-yl]-morpholin-4-ylmethanone
SMILESCc1oc(C(C)(C)C)nc1CC1COC(C)(C(=O)N2CCOCC2)OC1
InChIInChI=1S/C19H30N2O5/c1-13-15(20-16(26-13)18(2,3)4)10-14-11-24-19(5,25-12-14)17(22)21-6-8-23-9-7-21/h14H,6-12H2,1-5H3
InChIKeyXIEVKDNANYCEFN-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.06
Rot. Bonds3

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

[5-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methyl]-2-methyl-1,3-dioxan-2-yl]-morpholin-4-ylmethanone (PubChem CID 52939316) has the molecular formula C19H30N2O5 and a molecular weight of 366.46 g/mol. Its IUPAC name is [5-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methyl]-2-methyl-1,3-dioxan-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methyl]-2-methyl-1,3-dioxan-2-yl]-morpholin-4-ylmethanone
PubChem CID52939316
Molecular FormulaC19H30N2O5
Molecular Weight366.46 g/mol
Exact Mass366.22
IUPAC Name[5-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methyl]-2-methyl-1,3-dioxan-2-yl]-morpholin-4-ylmethanone
SMILESCc1oc(C(C)(C)C)nc1CC1COC(C)(C(=O)N2CCOCC2)OC1
InChIInChI=1S/C19H30N2O5/c1-13-15(20-16(26-13)18(2,3)4)10-14-11-24-19(5,25-12-14)17(22)21-6-8-23-9-7-21/h14H,6-12H2,1-5H3
InChIKeyXIEVKDNANYCEFN-UHFFFAOYSA-N
XLogP2.06
TPSA74.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methyl]-2-methyl-1,3-dioxan-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methyl]-2-methyl-1,3-dioxan-2-yl]-morpholin-4-ylmethanone (CID 52939316) is [5-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methyl]-2-methyl-1,3-dioxan-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methyl]-2-methyl-1,3-dioxan-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methyl]-2-methyl-1,3-dioxan-2-yl]-morpholin-4-ylmethanone is Cc1oc(C(C)(C)C)nc1CC1COC(C)(C(=O)N2CCOCC2)OC1.
What is the InChIKey of [5-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methyl]-2-methyl-1,3-dioxan-2-yl]-morpholin-4-ylmethanone?
The InChIKey is XIEVKDNANYCEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O5/c1-13-15(20-16(26-13)18(2,3)4)10-14-11-24-19(5,25-12-14)17(22)21-6-8-23-9-7-21/h14H,6-12H2,1-5H3.
What are the key properties of [5-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methyl]-2-methyl-1,3-dioxan-2-yl]-morpholin-4-ylmethanone?
[5-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methyl]-2-methyl-1,3-dioxan-2-yl]-morpholin-4-ylmethanone has a molecular weight of 366.46 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methyl]-2-methyl-1,3-dioxan-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 52939316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).