tert-butyl 2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidine-1-carbonyl]benzoate

C26H32N4O4 — CID 3868150

IUPACtert-butyl 2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidine-1-carbonyl]benzoate
SMILESCc1noc(C)c1Cn1ccnc1C1CCN(C(=O)c2ccccc2C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C26H32N4O4/c1-17-22(18(2)34-28-17)16-30-15-12-27-23(30)19-10-13-29(14-11-19)24(31)20-8-6-7-9-21(20)25(32)33-26(3,4)5/h6-9,12,15,19H,10-11,13-14,16H2,1-5H3
InChIKeyVMHFWRVUDYZKQK-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.51
Rot. Bonds5

About tert-butyl 2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidine-1-carbonyl]benzoate

tert-butyl 2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidine-1-carbonyl]benzoate (PubChem CID 3868150) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is tert-butyl 2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidine-1-carbonyl]benzoate.

Molecular Properties

Compound Nametert-butyl 2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidine-1-carbonyl]benzoate
PubChem CID3868150
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Nametert-butyl 2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidine-1-carbonyl]benzoate
SMILESCc1noc(C)c1Cn1ccnc1C1CCN(C(=O)c2ccccc2C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C26H32N4O4/c1-17-22(18(2)34-28-17)16-30-15-12-27-23(30)19-10-13-29(14-11-19)24(31)20-8-6-7-9-21(20)25(32)33-26(3,4)5/h6-9,12,15,19H,10-11,13-14,16H2,1-5H3
InChIKeyVMHFWRVUDYZKQK-UHFFFAOYSA-N
XLogP4.51
TPSA90.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidine-1-carbonyl]benzoate with MolForge

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Launch Full Analysis

Related Compounds

(5-butyl-2-pyridinyl)-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 3779683
1-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone
CID 5015413
[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]-(4-methylsulfanyl-3-nitrophenyl)methanone
CID 3815276
1-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 3252028
N-[(2,3-dimethoxyphenyl)methyl]-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidine-1-carbothioamide
CID 3344255
(3-methyl-1,2-oxazol-5-yl)-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72863746
1-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]-2-[(3-nitrophenyl)methylidene]butan-1-one
CID 5014567
[4-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 72882305
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-naphthalen-1-ylmethanone
CID 35252936
[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 72866686
tert-butyl 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]benzoate
CID 4996955
[4-[1-[(3,5-dimethoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 3677458

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidine-1-carbonyl]benzoate?
The IUPAC name of tert-butyl 2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidine-1-carbonyl]benzoate (CID 3868150) is tert-butyl 2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidine-1-carbonyl]benzoate.
What is the SMILES notation for tert-butyl 2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidine-1-carbonyl]benzoate?
The canonical SMILES for tert-butyl 2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidine-1-carbonyl]benzoate is Cc1noc(C)c1Cn1ccnc1C1CCN(C(=O)c2ccccc2C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidine-1-carbonyl]benzoate?
The InChIKey is VMHFWRVUDYZKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-17-22(18(2)34-28-17)16-30-15-12-27-23(30)19-10-13-29(14-11-19)24(31)20-8-6-7-9-21(20)25(32)33-26(3,4)5/h6-9,12,15,19H,10-11,13-14,16H2,1-5H3.
What are the key properties of tert-butyl 2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidine-1-carbonyl]benzoate?
tert-butyl 2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidine-1-carbonyl]benzoate has a molecular weight of 464.57 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidine-1-carbonyl]benzoate is sourced from PubChem (CID 3868150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).