[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

C15H21N5O2 — CID 56778626

IUPAC[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCCN(Cc3nccn3C)CC2)no1
InChIInChI=1S/C15H21N5O2/c1-12-10-13(17-22-12)15(21)20-6-3-5-19(8-9-20)11-14-16-4-7-18(14)2/h4,7,10H,3,5-6,8-9,11H2,1-2H3
InChIKeyNSTMTRVZEOPIAZ-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.06
Rot. Bonds3

About [4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 56778626) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is [4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID56778626
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCCN(Cc3nccn3C)CC2)no1
InChIInChI=1S/C15H21N5O2/c1-12-10-13(17-22-12)15(21)20-6-3-5-19(8-9-20)11-14-16-4-7-18(14)2/h4,7,10H,3,5-6,8-9,11H2,1-2H3
InChIKeyNSTMTRVZEOPIAZ-UHFFFAOYSA-N
XLogP1.06
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (CID 56778626) is [4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is Cc1cc(C(=O)N2CCCN(Cc3nccn3C)CC2)no1.
What is the InChIKey of [4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is NSTMTRVZEOPIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-12-10-13(17-22-12)15(21)20-6-3-5-19(8-9-20)11-14-16-4-7-18(14)2/h4,7,10H,3,5-6,8-9,11H2,1-2H3.
What are the key properties of [4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 303.37 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 56778626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).