[1-[(4-chlorophenyl)methyl]piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate

C20H26ClN3O3 — CID 118249916

IUPAC[1-[(4-chlorophenyl)methyl]piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate
SMILESCC(C)(C)c1cc(NC(=O)OC2CCCN(Cc3ccc(Cl)cc3)C2)no1
InChIInChI=1S/C20H26ClN3O3/c1-20(2,3)17-11-18(23-27-17)22-19(25)26-16-5-4-10-24(13-16)12-14-6-8-15(21)9-7-14/h6-9,11,16H,4-5,10,12-13H2,1-3H3,(H,22,23,25)
InChIKeyUKVIPSGUUWGOBC-UHFFFAOYSA-N
MW391.90 g/mol
LogP4.84
Rot. Bonds4

About [1-[(4-chlorophenyl)methyl]piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate

[1-[(4-chlorophenyl)methyl]piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate (PubChem CID 118249916) has the molecular formula C20H26ClN3O3 and a molecular weight of 391.90 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate
PubChem CID118249916
Molecular FormulaC20H26ClN3O3
Molecular Weight391.90 g/mol
Exact Mass391.17
IUPAC Name[1-[(4-chlorophenyl)methyl]piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate
SMILESCC(C)(C)c1cc(NC(=O)OC2CCCN(Cc3ccc(Cl)cc3)C2)no1
InChIInChI=1S/C20H26ClN3O3/c1-20(2,3)17-11-18(23-27-17)22-19(25)26-16-5-4-10-24(13-16)12-14-6-8-15(21)9-7-14/h6-9,11,16H,4-5,10,12-13H2,1-3H3,(H,22,23,25)
InChIKeyUKVIPSGUUWGOBC-UHFFFAOYSA-N
XLogP4.84
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(oxane-4-carbonyl)piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate
CID 118249906
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate
CID 118249912
N-tert-butyl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43918460
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(5-chloro-2-pyridinyl)azetidine-2-carboxamide
CID 67953708
[1-[(4-methoxyphenyl)methyl]piperidin-3-yl] acetate
CID 46898261
(3R)-1-[(4-chlorophenyl)methyl]-N-(2,2-dimethylpropyl)piperidine-3-carboxamide
CID 100777778
[(3R)-1-benzylpyrrolidin-3-yl] N-tert-butylcarbamate
CID 175027236
4-[(4-chlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-1,4-diazepane-1-carboxamide
CID 18144051
tert-butyl N-[2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethyl]carbamate
CID 123896441
tert-butyl N-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamate
CID 18426224
methyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]acetate
CID 83982541
methyl 2-fluoro-4-[(3-methoxypiperidin-1-yl)methyl]benzoate
CID 103749371

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate?
The IUPAC name of [1-[(4-chlorophenyl)methyl]piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate (CID 118249916) is [1-[(4-chlorophenyl)methyl]piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate is CC(C)(C)c1cc(NC(=O)OC2CCCN(Cc3ccc(Cl)cc3)C2)no1.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate?
The InChIKey is UKVIPSGUUWGOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O3/c1-20(2,3)17-11-18(23-27-17)22-19(25)26-16-5-4-10-24(13-16)12-14-6-8-15(21)9-7-14/h6-9,11,16H,4-5,10,12-13H2,1-3H3,(H,22,23,25).
What are the key properties of [1-[(4-chlorophenyl)methyl]piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate?
[1-[(4-chlorophenyl)methyl]piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate has a molecular weight of 391.90 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate is sourced from PubChem (CID 118249916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).