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

C18H27N5O2 — CID 72922510

IUPAC[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(c3nccn3CCCN(C)C)CC2)no1
InChIInChI=1S/C18H27N5O2/c1-14-13-16(20-25-14)18(24)23-10-5-15(6-11-23)17-19-7-12-22(17)9-4-8-21(2)3/h7,12-13,15H,4-6,8-11H2,1-3H3
InChIKeyMXTGMSJLTFYIDM-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.15
Rot. Bonds6

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

[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 72922510) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is [4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID72922510
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(c3nccn3CCCN(C)C)CC2)no1
InChIInChI=1S/C18H27N5O2/c1-14-13-16(20-25-14)18(24)23-10-5-15(6-11-23)17-19-7-12-22(17)9-4-8-21(2)3/h7,12-13,15H,4-6,8-11H2,1-3H3
InChIKeyMXTGMSJLTFYIDM-UHFFFAOYSA-N
XLogP2.15
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (CID 72922510) is [4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is Cc1cc(C(=O)N2CCC(c3nccn3CCCN(C)C)CC2)no1.
What is the InChIKey of [4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is MXTGMSJLTFYIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-14-13-16(20-25-14)18(24)23-10-5-15(6-11-23)17-19-7-12-22(17)9-4-8-21(2)3/h7,12-13,15H,4-6,8-11H2,1-3H3.
What are the key properties of [4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 345.45 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 72922510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).