tert-butyl N-methyl-N-[(1R,2S)-2-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]cyclohexyl]carbamate

C15H25N3O4 — CID 136811894

IUPACtert-butyl N-methyl-N-[(1R,2S)-2-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]cyclohexyl]carbamate
SMILESCN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@H]1Cc1noc(=O)[nH]1
InChIInChI=1S/C15H25N3O4/c1-15(2,3)21-14(20)18(4)11-8-6-5-7-10(11)9-12-16-13(19)22-17-12/h10-11H,5-9H2,1-4H3,(H,16,17,19)/t10-,11+/m0/s1
InChIKeyKJMOTNYHLQDYEP-WDEREUQCSA-N
MW311.38 g/mol
LogP2.33
Rot. Bonds3

About tert-butyl N-methyl-N-[(1R,2S)-2-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]cyclohexyl]carbamate

tert-butyl N-methyl-N-[(1R,2S)-2-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]cyclohexyl]carbamate (PubChem CID 136811894) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(1R,2S)-2-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(1R,2S)-2-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]cyclohexyl]carbamate
PubChem CID136811894
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Nametert-butyl N-methyl-N-[(1R,2S)-2-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]cyclohexyl]carbamate
SMILESCN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@H]1Cc1noc(=O)[nH]1
InChIInChI=1S/C15H25N3O4/c1-15(2,3)21-14(20)18(4)11-8-6-5-7-10(11)9-12-16-13(19)22-17-12/h10-11H,5-9H2,1-4H3,(H,16,17,19)/t10-,11+/m0/s1
InChIKeyKJMOTNYHLQDYEP-WDEREUQCSA-N
XLogP2.33
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(1R,2S)-2-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(1R,2S)-2-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]cyclohexyl]carbamate (CID 136811894) is tert-butyl N-methyl-N-[(1R,2S)-2-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(1R,2S)-2-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(1R,2S)-2-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]cyclohexyl]carbamate is CN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@H]1Cc1noc(=O)[nH]1.
What is the InChIKey of tert-butyl N-methyl-N-[(1R,2S)-2-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]cyclohexyl]carbamate?
The InChIKey is KJMOTNYHLQDYEP-WDEREUQCSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-15(2,3)21-14(20)18(4)11-8-6-5-7-10(11)9-12-16-13(19)22-17-12/h10-11H,5-9H2,1-4H3,(H,16,17,19)/t10-,11+/m0/s1.
What are the key properties of tert-butyl N-methyl-N-[(1R,2S)-2-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]cyclohexyl]carbamate?
tert-butyl N-methyl-N-[(1R,2S)-2-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]cyclohexyl]carbamate has a molecular weight of 311.38 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(1R,2S)-2-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]cyclohexyl]carbamate is sourced from PubChem (CID 136811894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).