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

C16H22N4O2 — CID 29215505

IUPAC(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESCCc1noc(C)c1C(=O)N1CCC[C@@H](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/t13-/m0/s1
InChIKeyOKGDKWXGOJDRLQ-ZDUSSCGKSA-N
MW302.38 g/mol
LogP2.29
Rot. Bonds4

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

(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 29215505) 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)-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID29215505
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESCCc1noc(C)c1C(=O)N1CCC[C@@H](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/t13-/m0/s1
InChIKeyOKGDKWXGOJDRLQ-ZDUSSCGKSA-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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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone (CID 29215505) is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone is CCc1noc(C)c1C(=O)N1CCC[C@@H](Cn2ccnc2)C1.
What is the InChIKey of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is OKGDKWXGOJDRLQ-ZDUSSCGKSA-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/t13-/m0/s1.
What are the key properties of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone?
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3S)-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)-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 29215505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).