tert-butyl N-[[3-(dicyclohexylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamate

C22H35N3O4 — CID 56965834

IUPACtert-butyl N-[[3-(dicyclohexylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cc(C(=O)N(C2CCCCC2)C2CCCCC2)no1
InChIInChI=1S/C22H35N3O4/c1-22(2,3)28-21(27)23-15-18-14-19(24-29-18)20(26)25(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h14,16-17H,4-13,15H2,1-3H3,(H,23,27)
InChIKeyNSRPIAGKCDMXHT-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.81
Rot. Bonds5

About tert-butyl N-[[3-(dicyclohexylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamate

tert-butyl N-[[3-(dicyclohexylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamate (PubChem CID 56965834) has the molecular formula C22H35N3O4 and a molecular weight of 405.54 g/mol. Its IUPAC name is tert-butyl N-[[3-(dicyclohexylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(dicyclohexylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamate
PubChem CID56965834
Molecular FormulaC22H35N3O4
Molecular Weight405.54 g/mol
Exact Mass405.26
IUPAC Nametert-butyl N-[[3-(dicyclohexylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cc(C(=O)N(C2CCCCC2)C2CCCCC2)no1
InChIInChI=1S/C22H35N3O4/c1-22(2,3)28-21(27)23-15-18-14-19(24-29-18)20(26)25(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h14,16-17H,4-13,15H2,1-3H3,(H,23,27)
InChIKeyNSRPIAGKCDMXHT-UHFFFAOYSA-N
XLogP4.81
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[[3-(dicyclohexylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamate with MolForge

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Related Compounds

ethyl 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2-oxazole-3-carboxylate
CID 10588096
N,N-dicyclohexyl-5-(diethylaminomethyl)-1,2-oxazole-3-carboxamide
CID 56955976
tert-butyl N-[[5-(aminomethyl)-1,2-oxazol-3-yl]methyl]carbamate
CID 139228466
tert-butyl N-[[4-[cyclohexyl(ethyl)carbamoyl]phenyl]methyl]carbamate
CID 24632584
5-(aminomethyl)-N,N-dicyclohexyl-1,2-oxazole-3-carboxamide;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 56965820
N,N-dicyclohexyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 17253281
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-3-carboxylic acid
CID 67426969
N-cyclohexyl-5-cyclopropyl-N-(4-propylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 56973396
tert-butyl N-[2-[acetyl(cycloheptyl)amino]ethyl]carbamate
CID 113056745
N-[(1R,2R)-2-hydroxycyclopentyl]-N-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide
CID 126801364
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate
CID 68817763

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-(dicyclohexylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-(dicyclohexylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamate (CID 56965834) is tert-butyl N-[[3-(dicyclohexylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-(dicyclohexylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-(dicyclohexylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cc(C(=O)N(C2CCCCC2)C2CCCCC2)no1.
What is the InChIKey of tert-butyl N-[[3-(dicyclohexylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamate?
The InChIKey is NSRPIAGKCDMXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O4/c1-22(2,3)28-21(27)23-15-18-14-19(24-29-18)20(26)25(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h14,16-17H,4-13,15H2,1-3H3,(H,23,27).
What are the key properties of tert-butyl N-[[3-(dicyclohexylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamate?
tert-butyl N-[[3-(dicyclohexylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamate has a molecular weight of 405.54 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-(dicyclohexylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamate is sourced from PubChem (CID 56965834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).