tert-butyl N-[(2S)-1-cyclohexyl-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-hydroxybutan-2-yl]carbamate

C20H36N2O4 — CID 154492644

IUPACtert-butyl N-[(2S)-1-cyclohexyl-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-hydroxybutan-2-yl]carbamate
SMILESCC1(C)COC(CC(O)[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)=N1
InChIInChI=1S/C20H36N2O4/c1-19(2,3)26-18(24)21-15(11-14-9-7-6-8-10-14)16(23)12-17-22-20(4,5)13-25-17/h14-16,23H,6-13H2,1-5H3,(H,21,24)/t15-,16?/m0/s1
InChIKeyVZPWLEMRVSTVDE-VYRBHSGPSA-N
MW368.52 g/mol
LogP3.81
Rot. Bonds6

About tert-butyl N-[(2S)-1-cyclohexyl-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-hydroxybutan-2-yl]carbamate

tert-butyl N-[(2S)-1-cyclohexyl-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-hydroxybutan-2-yl]carbamate (PubChem CID 154492644) has the molecular formula C20H36N2O4 and a molecular weight of 368.52 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-cyclohexyl-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-hydroxybutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-cyclohexyl-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-hydroxybutan-2-yl]carbamate
PubChem CID154492644
Molecular FormulaC20H36N2O4
Molecular Weight368.52 g/mol
Exact Mass368.27
IUPAC Nametert-butyl N-[(2S)-1-cyclohexyl-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-hydroxybutan-2-yl]carbamate
SMILESCC1(C)COC(CC(O)[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)=N1
InChIInChI=1S/C20H36N2O4/c1-19(2,3)26-18(24)21-15(11-14-9-7-6-8-10-14)16(23)12-17-22-20(4,5)13-25-17/h14-16,23H,6-13H2,1-5H3,(H,21,24)/t15-,16?/m0/s1
InChIKeyVZPWLEMRVSTVDE-VYRBHSGPSA-N
XLogP3.81
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-cyclohexyl-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-hydroxybutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-cyclohexyl-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-hydroxybutan-2-yl]carbamate (CID 154492644) is tert-butyl N-[(2S)-1-cyclohexyl-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-hydroxybutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-cyclohexyl-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-hydroxybutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-cyclohexyl-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-hydroxybutan-2-yl]carbamate is CC1(C)COC(CC(O)[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)=N1.
What is the InChIKey of tert-butyl N-[(2S)-1-cyclohexyl-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-hydroxybutan-2-yl]carbamate?
The InChIKey is VZPWLEMRVSTVDE-VYRBHSGPSA-N. The full InChI is InChI=1S/C20H36N2O4/c1-19(2,3)26-18(24)21-15(11-14-9-7-6-8-10-14)16(23)12-17-22-20(4,5)13-25-17/h14-16,23H,6-13H2,1-5H3,(H,21,24)/t15-,16?/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-cyclohexyl-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-hydroxybutan-2-yl]carbamate?
tert-butyl N-[(2S)-1-cyclohexyl-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-hydroxybutan-2-yl]carbamate has a molecular weight of 368.52 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-cyclohexyl-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-hydroxybutan-2-yl]carbamate is sourced from PubChem (CID 154492644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).