tert-butyl N-[1-[[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]methyl]cyclohexyl]carbamate

C20H27N3O5 — CID 60618638

IUPACtert-butyl N-[1-[[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]methyl]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CNC(=O)c2cc(-c3ccco3)on2)CCCCC1
InChIInChI=1S/C20H27N3O5/c1-19(2,3)27-18(25)22-20(9-5-4-6-10-20)13-21-17(24)14-12-16(28-23-14)15-8-7-11-26-15/h7-8,11-12H,4-6,9-10,13H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyNTBHQXSWIYVJRW-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.89
Rot. Bonds5

About tert-butyl N-[1-[[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]methyl]cyclohexyl]carbamate

tert-butyl N-[1-[[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]methyl]cyclohexyl]carbamate (PubChem CID 60618638) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is tert-butyl N-[1-[[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]methyl]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]methyl]cyclohexyl]carbamate
PubChem CID60618638
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Nametert-butyl N-[1-[[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]methyl]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CNC(=O)c2cc(-c3ccco3)on2)CCCCC1
InChIInChI=1S/C20H27N3O5/c1-19(2,3)27-18(25)22-20(9-5-4-6-10-20)13-21-17(24)14-12-16(28-23-14)15-8-7-11-26-15/h7-8,11-12H,4-6,9-10,13H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyNTBHQXSWIYVJRW-UHFFFAOYSA-N
XLogP3.89
TPSA106.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[1-[[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]methyl]cyclohexyl]carbamate with MolForge

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Related Compounds

5-(furan-2-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 120891466
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tert-butyl N-[1-[[(4-carbamoylbenzoyl)amino]methyl]cycloheptyl]carbamate
CID 31863487
tert-butyl N-[1-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]cycloheptyl]carbamate
CID 31863964
5-(furan-2-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 103849044
N-(2-amino-2-ethylbutyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 119643486
5-(furan-2-yl)-N-(2-hydroxy-2-methylpentyl)-1,2-oxazole-3-carboxamide
CID 103712832
5-(furan-2-yl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 15995731
ethyl 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetate
CID 47257374
tert-butyl N-[1-[[(2-methylpyrazol-3-yl)methylcarbamoylamino]methyl]cycloheptyl]carbamate
CID 87007419
N-[2-ethyl-2-(hydroxymethyl)butyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 103843592
5-(furan-2-yl)-N-(2-methylsulfonylethyl)-1,2-oxazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]methyl]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[1-[[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]methyl]cyclohexyl]carbamate (CID 60618638) is tert-butyl N-[1-[[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]methyl]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]methyl]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]methyl]cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1(CNC(=O)c2cc(-c3ccco3)on2)CCCCC1.
What is the InChIKey of tert-butyl N-[1-[[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]methyl]cyclohexyl]carbamate?
The InChIKey is NTBHQXSWIYVJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-19(2,3)27-18(25)22-20(9-5-4-6-10-20)13-21-17(24)14-12-16(28-23-14)15-8-7-11-26-15/h7-8,11-12H,4-6,9-10,13H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of tert-butyl N-[1-[[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]methyl]cyclohexyl]carbamate?
tert-butyl N-[1-[[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]methyl]cyclohexyl]carbamate has a molecular weight of 389.45 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]methyl]cyclohexyl]carbamate is sourced from PubChem (CID 60618638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).