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

C22H30N4O4 — CID 86898911

IUPACtert-butyl N-methyl-N-[1-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoyl]piperidin-4-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCN(C(=O)NCc2ncc(-c3ccccc3)o2)CC1
InChIInChI=1S/C22H30N4O4/c1-22(2,3)30-21(28)25(4)17-10-12-26(13-11-17)20(27)24-15-19-23-14-18(29-19)16-8-6-5-7-9-16/h5-9,14,17H,10-13,15H2,1-4H3,(H,24,27)
InChIKeyXIMNEFDCSSPACY-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.88
Rot. Bonds4

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

tert-butyl N-methyl-N-[1-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoyl]piperidin-4-yl]carbamate (PubChem CID 86898911) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[1-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[1-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoyl]piperidin-4-yl]carbamate
PubChem CID86898911
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC Nametert-butyl N-methyl-N-[1-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoyl]piperidin-4-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCN(C(=O)NCc2ncc(-c3ccccc3)o2)CC1
InChIInChI=1S/C22H30N4O4/c1-22(2,3)30-21(28)25(4)17-10-12-26(13-11-17)20(27)24-15-19-23-14-18(29-19)16-8-6-5-7-9-16/h5-9,14,17H,10-13,15H2,1-4H3,(H,24,27)
InChIKeyXIMNEFDCSSPACY-UHFFFAOYSA-N
XLogP3.88
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide
CID 47176259
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CID 138004669
tert-butyl N-(1-benzoylpyrrolidin-3-yl)-N-methylcarbamate
CID 71862110
(2R)-2-phenyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]propanamide
CID 99626152
tert-butyl N-[1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidin-4-yl]-N-methylcarbamate
CID 66570154
tert-butyl N-[1-[5-amino-6-phenyl-4-(propan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate
CID 140529988
1-(5,5-dimethylhexyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 86890674
tert-butyl N-methyl-N-[1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]carbamate
CID 71977139
1-[4-(methylamino)piperidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one;dihydrochloride
CID 119560940
tert-butyl N-[(3S)-1-[(6-methoxy-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]-N-methylcarbamate
CID 99800104
tert-butyl 4-[(2S)-2-cyclopropyl-2-[(5-phenyl-1,3-oxazol-2-yl)amino]ethyl]piperidine-1-carboxylate
CID 142509390
benzyl (3R)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-1-carboxylate
CID 58940619

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[1-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[1-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoyl]piperidin-4-yl]carbamate (CID 86898911) is tert-butyl N-methyl-N-[1-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[1-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[1-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoyl]piperidin-4-yl]carbamate is CN(C(=O)OC(C)(C)C)C1CCN(C(=O)NCc2ncc(-c3ccccc3)o2)CC1.
What is the InChIKey of tert-butyl N-methyl-N-[1-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoyl]piperidin-4-yl]carbamate?
The InChIKey is XIMNEFDCSSPACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-22(2,3)30-21(28)25(4)17-10-12-26(13-11-17)20(27)24-15-19-23-14-18(29-19)16-8-6-5-7-9-16/h5-9,14,17H,10-13,15H2,1-4H3,(H,24,27).
What are the key properties of tert-butyl N-methyl-N-[1-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoyl]piperidin-4-yl]carbamate?
tert-butyl N-methyl-N-[1-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoyl]piperidin-4-yl]carbamate has a molecular weight of 414.51 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[1-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 86898911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).