tert-butyl N-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]cyclohexyl]carbamate

C18H31N3O3 — CID 75408338

IUPACtert-butyl N-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]cyclohexyl]carbamate
SMILESCc1nc(CN(C)C2CCC(NC(=O)OC(C)(C)C)CC2)oc1C
InChIInChI=1S/C18H31N3O3/c1-12-13(2)23-16(19-12)11-21(6)15-9-7-14(8-10-15)20-17(22)24-18(3,4)5/h14-15H,7-11H2,1-6H3,(H,20,22)
InChIKeyWXVDIFOTLYUWLP-UHFFFAOYSA-N
MW337.46 g/mol
LogP3.56
Rot. Bonds4

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

tert-butyl N-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]cyclohexyl]carbamate (PubChem CID 75408338) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is tert-butyl N-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]cyclohexyl]carbamate
PubChem CID75408338
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Nametert-butyl N-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]cyclohexyl]carbamate
SMILESCc1nc(CN(C)C2CCC(NC(=O)OC(C)(C)C)CC2)oc1C
InChIInChI=1S/C18H31N3O3/c1-12-13(2)23-16(19-12)11-21(6)15-9-7-14(8-10-15)20-17(22)24-18(3,4)5/h14-15H,7-11H2,1-6H3,(H,20,22)
InChIKeyWXVDIFOTLYUWLP-UHFFFAOYSA-N
XLogP3.56
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]cyclohexyl]carbamate (CID 75408338) is tert-butyl N-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]cyclohexyl]carbamate is Cc1nc(CN(C)C2CCC(NC(=O)OC(C)(C)C)CC2)oc1C.
What is the InChIKey of tert-butyl N-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]cyclohexyl]carbamate?
The InChIKey is WXVDIFOTLYUWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-12-13(2)23-16(19-12)11-21(6)15-9-7-14(8-10-15)20-17(22)24-18(3,4)5/h14-15H,7-11H2,1-6H3,(H,20,22).
What are the key properties of tert-butyl N-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]cyclohexyl]carbamate?
tert-butyl N-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]cyclohexyl]carbamate has a molecular weight of 337.46 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]cyclohexyl]carbamate is sourced from PubChem (CID 75408338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).