[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone

C16H22N4O2 — CID 95313792

IUPAC[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
SMILESCc1noc(C(C)C)c1C(=O)N1CCC[C@H](n2ccnc2)C1
InChIInChI=1S/C16H22N4O2/c1-11(2)15-14(12(3)18-22-15)16(21)19-7-4-5-13(9-19)20-8-6-17-10-20/h6,8,10-11,13H,4-5,7,9H2,1-3H3/t13-/m0/s1
InChIKeyOJDFLDHEUCKRMG-ZDUSSCGKSA-N
MW302.38 g/mol
LogP2.78
Rot. Bonds3

About [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone

[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone (PubChem CID 95313792) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
PubChem CID95313792
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
SMILESCc1noc(C(C)C)c1C(=O)N1CCC[C@H](n2ccnc2)C1
InChIInChI=1S/C16H22N4O2/c1-11(2)15-14(12(3)18-22-15)16(21)19-7-4-5-13(9-19)20-8-6-17-10-20/h6,8,10-11,13H,4-5,7,9H2,1-3H3/t13-/m0/s1
InChIKeyOJDFLDHEUCKRMG-ZDUSSCGKSA-N
XLogP2.78
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone (CID 95313792) is [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone is Cc1noc(C(C)C)c1C(=O)N1CCC[C@H](n2ccnc2)C1.
What is the InChIKey of [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone?
The InChIKey is OJDFLDHEUCKRMG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11(2)15-14(12(3)18-22-15)16(21)19-7-4-5-13(9-19)20-8-6-17-10-20/h6,8,10-11,13H,4-5,7,9H2,1-3H3/t13-/m0/s1.
What are the key properties of [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone?
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone has a molecular weight of 302.38 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 95313792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).