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

C18H21N5O2S — CID 4984108

IUPAC(3-methyl-1,2-oxazol-4-yl)-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1nc(Cn2ccnc2C2CCN(C(=O)c3conc3C)CC2)cs1
InChIInChI=1S/C18H21N5O2S/c1-12-16(10-25-21-12)18(24)22-6-3-14(4-7-22)17-19-5-8-23(17)9-15-11-26-13(2)20-15/h5,8,10-11,14H,3-4,6-7,9H2,1-2H3
InChIKeyDUOWVWDWENTIRX-UHFFFAOYSA-N
MW371.47 g/mol
LogP3.01
Rot. Bonds4

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

(3-methyl-1,2-oxazol-4-yl)-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 4984108) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-4-yl)-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-4-yl)-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID4984108
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC Name(3-methyl-1,2-oxazol-4-yl)-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1nc(Cn2ccnc2C2CCN(C(=O)c3conc3C)CC2)cs1
InChIInChI=1S/C18H21N5O2S/c1-12-16(10-25-21-12)18(24)22-6-3-14(4-7-22)17-19-5-8-23(17)9-15-11-26-13(2)20-15/h5,8,10-11,14H,3-4,6-7,9H2,1-2H3
InChIKeyDUOWVWDWENTIRX-UHFFFAOYSA-N
XLogP3.01
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-4-yl)-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-methyl-1,2-oxazol-4-yl)-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone (CID 4984108) is (3-methyl-1,2-oxazol-4-yl)-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-methyl-1,2-oxazol-4-yl)-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-methyl-1,2-oxazol-4-yl)-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone is Cc1nc(Cn2ccnc2C2CCN(C(=O)c3conc3C)CC2)cs1.
What is the InChIKey of (3-methyl-1,2-oxazol-4-yl)-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is DUOWVWDWENTIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-12-16(10-25-21-12)18(24)22-6-3-14(4-7-22)17-19-5-8-23(17)9-15-11-26-13(2)20-15/h5,8,10-11,14H,3-4,6-7,9H2,1-2H3.
What are the key properties of (3-methyl-1,2-oxazol-4-yl)-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone?
(3-methyl-1,2-oxazol-4-yl)-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 371.47 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-4-yl)-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 4984108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).