(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone

C16H22N4O2 — CID 45202119

IUPAC(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESCCc1noc(C)c1C(=O)N1CCCC(Cn2ccnc2)C1
InChIInChI=1S/C16H22N4O2/c1-3-14-15(12(2)22-18-14)16(21)20-7-4-5-13(10-20)9-19-8-6-17-11-19/h6,8,11,13H,3-5,7,9-10H2,1-2H3
InChIKeyOKGDKWXGOJDRLQ-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.29
Rot. Bonds4

About (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone

(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 45202119) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID45202119
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESCCc1noc(C)c1C(=O)N1CCCC(Cn2ccnc2)C1
InChIInChI=1S/C16H22N4O2/c1-3-14-15(12(2)22-18-14)16(21)20-7-4-5-13(10-20)9-19-8-6-17-11-19/h6,8,11,13H,3-5,7,9-10H2,1-2H3
InChIKeyOKGDKWXGOJDRLQ-UHFFFAOYSA-N
XLogP2.29
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3235315
(3-Ethyl-5-methyl-1,2-oxazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 33112388
3,5-Dimethyl-4-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole
CID 53566665
3,5-Dimethyl-4-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole
CID 53577382
(3,5-Dimethyl-1,2-oxazol-4-yl)-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53612086
2-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 53617722
3-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 53623428
[4-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(4-ethylpyrimidin-5-yl)methanone
CID 56817835
1-[(3,5-dimethyl-4-isoxazolyl)acetyl]-3-[(2-methyl-1H-imidazol-1-yl)methyl]piperidine
CID 70730701
(1-{[4-(methoxymethyl)-5-methyl-3-isoxazolyl]carbonyl}-3-piperidinyl)(1-methyl-1H-imidazol-2-yl)methanone
CID 70745499
N,N-dimethyl-3-(2-{1-[(5-methylisoxazol-3-yl)carbonyl]piperidin-4-yl}-1H-imidazol-1-yl)propan-1-amine
CID 72922510
N-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
CID 97467573

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone (CID 45202119) is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone is CCc1noc(C)c1C(=O)N1CCCC(Cn2ccnc2)C1.
What is the InChIKey of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is OKGDKWXGOJDRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-3-14-15(12(2)22-18-14)16(21)20-7-4-5-13(10-20)9-19-8-6-17-11-19/h6,8,11,13H,3-5,7,9-10H2,1-2H3.
What are the key properties of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone?
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 302.38 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 45202119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).