[1-(oxane-4-carbonyl)piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate

C19H29N3O5 — CID 118249906

IUPAC[1-(oxane-4-carbonyl)piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate
SMILESCC(C)(C)c1cc(NC(=O)OC2CCCN(C(=O)C3CCOCC3)C2)no1
InChIInChI=1S/C19H29N3O5/c1-19(2,3)15-11-16(21-27-15)20-18(24)26-14-5-4-8-22(12-14)17(23)13-6-9-25-10-7-13/h11,13-14H,4-10,12H2,1-3H3,(H,20,21,24)
InChIKeyWOTZLTANIYGLQC-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.94
Rot. Bonds3

About [1-(oxane-4-carbonyl)piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate

[1-(oxane-4-carbonyl)piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate (PubChem CID 118249906) has the molecular formula C19H29N3O5 and a molecular weight of 379.46 g/mol. Its IUPAC name is [1-(oxane-4-carbonyl)piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate.

Molecular Properties

Compound Name[1-(oxane-4-carbonyl)piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate
PubChem CID118249906
Molecular FormulaC19H29N3O5
Molecular Weight379.46 g/mol
Exact Mass379.21
IUPAC Name[1-(oxane-4-carbonyl)piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate
SMILESCC(C)(C)c1cc(NC(=O)OC2CCCN(C(=O)C3CCOCC3)C2)no1
InChIInChI=1S/C19H29N3O5/c1-19(2,3)15-11-16(21-27-15)20-18(24)26-14-5-4-8-22(12-14)17(23)13-6-9-25-10-7-13/h11,13-14H,4-10,12H2,1-3H3,(H,20,21,24)
InChIKeyWOTZLTANIYGLQC-UHFFFAOYSA-N
XLogP2.94
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(oxane-4-carbonyl)piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate?
The IUPAC name of [1-(oxane-4-carbonyl)piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate (CID 118249906) is [1-(oxane-4-carbonyl)piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate.
What is the SMILES notation for [1-(oxane-4-carbonyl)piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate?
The canonical SMILES for [1-(oxane-4-carbonyl)piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate is CC(C)(C)c1cc(NC(=O)OC2CCCN(C(=O)C3CCOCC3)C2)no1.
What is the InChIKey of [1-(oxane-4-carbonyl)piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate?
The InChIKey is WOTZLTANIYGLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O5/c1-19(2,3)15-11-16(21-27-15)20-18(24)26-14-5-4-8-22(12-14)17(23)13-6-9-25-10-7-13/h11,13-14H,4-10,12H2,1-3H3,(H,20,21,24).
What are the key properties of [1-(oxane-4-carbonyl)piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate?
[1-(oxane-4-carbonyl)piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate has a molecular weight of 379.46 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxane-4-carbonyl)piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate is sourced from PubChem (CID 118249906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).