(5-butyl-2-pyridinyl)-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone

C24H31N5O2 — CID 3779683

IUPAC(5-butyl-2-pyridinyl)-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone
SMILESCCCCc1ccc(C(=O)N2CCC(c3nccn3Cc3c(C)noc3C)CC2)nc1
InChIInChI=1S/C24H31N5O2/c1-4-5-6-19-7-8-22(26-15-19)24(30)28-12-9-20(10-13-28)23-25-11-14-29(23)16-21-17(2)27-31-18(21)3/h7-8,11,14-15,20H,4-6,9-10,12-13,16H2,1-3H3
InChIKeyZQTKFVHCUNVMGH-UHFFFAOYSA-N
MW421.55 g/mol
LogP4.29
Rot. Bonds7

About (5-butyl-2-pyridinyl)-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone

(5-butyl-2-pyridinyl)-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 3779683) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is (5-butyl-2-pyridinyl)-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-butyl-2-pyridinyl)-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID3779683
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name(5-butyl-2-pyridinyl)-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone
SMILESCCCCc1ccc(C(=O)N2CCC(c3nccn3Cc3c(C)noc3C)CC2)nc1
InChIInChI=1S/C24H31N5O2/c1-4-5-6-19-7-8-22(26-15-19)24(30)28-12-9-20(10-13-28)23-25-11-14-29(23)16-21-17(2)27-31-18(21)3/h7-8,11,14-15,20H,4-6,9-10,12-13,16H2,1-3H3
InChIKeyZQTKFVHCUNVMGH-UHFFFAOYSA-N
XLogP4.29
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

tert-butyl 2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidine-1-carbonyl]benzoate
CID 3868150
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]-2-[(3-nitrophenyl)methylidene]butan-1-one
CID 5014567
(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]-3-[2-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 3252028
[4-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 72882305
[4-(1-butylimidazol-2-yl)piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 72936622
N-[(2,3-dimethoxyphenyl)methyl]-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidine-1-carbothioamide
CID 3344255
[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 72851515
[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 97285988
(2-propyl-1,3-thiazol-4-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72845217

Frequently Asked Questions

What is the IUPAC name of (5-butyl-2-pyridinyl)-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-butyl-2-pyridinyl)-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone (CID 3779683) is (5-butyl-2-pyridinyl)-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-butyl-2-pyridinyl)-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-butyl-2-pyridinyl)-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone is CCCCc1ccc(C(=O)N2CCC(c3nccn3Cc3c(C)noc3C)CC2)nc1.
What is the InChIKey of (5-butyl-2-pyridinyl)-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is ZQTKFVHCUNVMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-4-5-6-19-7-8-22(26-15-19)24(30)28-12-9-20(10-13-28)23-25-11-14-29(23)16-21-17(2)27-31-18(21)3/h7-8,11,14-15,20H,4-6,9-10,12-13,16H2,1-3H3.
What are the key properties of (5-butyl-2-pyridinyl)-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone?
(5-butyl-2-pyridinyl)-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 421.55 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butyl-2-pyridinyl)-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 3779683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).