tert-butyl N-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]carbamate

C21H29N3O4 — CID 60512700

IUPACtert-butyl N-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]carbamate
SMILESCOc1ccc(-c2nc(CN3CCC(NC(=O)OC(C)(C)C)CC3)co2)cc1
InChIInChI=1S/C21H29N3O4/c1-21(2,3)28-20(25)23-16-9-11-24(12-10-16)13-17-14-27-19(22-17)15-5-7-18(26-4)8-6-15/h5-8,14,16H,9-13H2,1-4H3,(H,23,25)
InChIKeyFWYIJKNOZXTUHJ-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.84
Rot. Bonds5

About tert-butyl N-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]carbamate (PubChem CID 60512700) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is tert-butyl N-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]carbamate
PubChem CID60512700
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Nametert-butyl N-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]carbamate
SMILESCOc1ccc(-c2nc(CN3CCC(NC(=O)OC(C)(C)C)CC3)co2)cc1
InChIInChI=1S/C21H29N3O4/c1-21(2,3)28-20(25)23-16-9-11-24(12-10-16)13-17-14-27-19(22-17)15-5-7-18(26-4)8-6-15/h5-8,14,16H,9-13H2,1-4H3,(H,23,25)
InChIKeyFWYIJKNOZXTUHJ-UHFFFAOYSA-N
XLogP3.84
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]benzamide
CID 43049757
1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907388
tert-butyl N-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]carbamate
CID 53256445
tert-butyl N-[1-[[5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl]piperidin-4-yl]carbamate
CID 55842814
tert-butyl N-[1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]carbamate
CID 60512394
tert-butyl N-[1-[[3-(4-methoxyphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-4-yl]carbamate
CID 55860335
tert-butyl N-[1-[[4-(4-methoxyanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methyl]piperidin-4-yl]carbamate
CID 70914877
tert-butyl N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]carbamate
CID 22182435
2,3-dihydro-1,4-benzodioxin-3-yl-[4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
CID 43049593
tert-butyl N-[1-[(5-fluorothiophen-2-yl)methyl]piperidin-4-yl]carbamate
CID 50896527
tert-butyl N-[1-[(2-amino-1,3-thiazol-4-yl)methyl]piperidin-4-yl]carbamate;4-(chloromethyl)-1,3-thiazol-2-amine;hydrochloride
CID 158273778
1-benzyl-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine
CID 56679054

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]carbamate (CID 60512700) is tert-butyl N-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]carbamate is COc1ccc(-c2nc(CN3CCC(NC(=O)OC(C)(C)C)CC3)co2)cc1.
What is the InChIKey of tert-butyl N-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]carbamate?
The InChIKey is FWYIJKNOZXTUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-21(2,3)28-20(25)23-16-9-11-24(12-10-16)13-17-14-27-19(22-17)15-5-7-18(26-4)8-6-15/h5-8,14,16H,9-13H2,1-4H3,(H,23,25).
What are the key properties of tert-butyl N-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]carbamate has a molecular weight of 387.48 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 60512700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).