tert-butyl N-[[1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate

C18H31N3O3 — CID 56793236

IUPACtert-butyl N-[[1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(CC1CCCN(Cc2ccon2)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C18H31N3O3/c1-14(2)21(17(22)24-18(3,4)5)12-15-7-6-9-20(11-15)13-16-8-10-23-19-16/h8,10,14-15H,6-7,9,11-13H2,1-5H3
InChIKeyPCTPRUDZMQQVMT-UHFFFAOYSA-N
MW337.46 g/mol
LogP3.53
Rot. Bonds5

About tert-butyl N-[[1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate

tert-butyl N-[[1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate (PubChem CID 56793236) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is tert-butyl N-[[1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
PubChem CID56793236
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Nametert-butyl N-[[1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(CC1CCCN(Cc2ccon2)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C18H31N3O3/c1-14(2)21(17(22)24-18(3,4)5)12-15-7-6-9-20(11-15)13-16-8-10-23-19-16/h8,10,14-15H,6-7,9,11-13H2,1-5H3
InChIKeyPCTPRUDZMQQVMT-UHFFFAOYSA-N
XLogP3.53
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-[[1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate (CID 56793236) is tert-butyl N-[[1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-[[1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-[[1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate is CC(C)N(CC1CCCN(Cc2ccon2)C1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The InChIKey is PCTPRUDZMQQVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-14(2)21(17(22)24-18(3,4)5)12-15-7-6-9-20(11-15)13-16-8-10-23-19-16/h8,10,14-15H,6-7,9,11-13H2,1-5H3.
What are the key properties of tert-butyl N-[[1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
tert-butyl N-[[1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate has a molecular weight of 337.46 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 56793236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).