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

C18H24N4O3 — CID 118766446

IUPAC[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone
SMILESCOCc1c(C(=O)N2CCCN(Cc3cccnc3)CC2)noc1C
InChIInChI=1S/C18H24N4O3/c1-14-16(13-24-2)17(20-25-14)18(23)22-8-4-7-21(9-10-22)12-15-5-3-6-19-11-15/h3,5-6,11H,4,7-10,12-13H2,1-2H3
InChIKeyASXHBJSUMXMMNQ-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.87
Rot. Bonds5

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

[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone (PubChem CID 118766446) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone
PubChem CID118766446
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone
SMILESCOCc1c(C(=O)N2CCCN(Cc3cccnc3)CC2)noc1C
InChIInChI=1S/C18H24N4O3/c1-14-16(13-24-2)17(20-25-14)18(23)22-8-4-7-21(9-10-22)12-15-5-3-6-19-11-15/h3,5-6,11H,4,7-10,12-13H2,1-2H3
InChIKeyASXHBJSUMXMMNQ-UHFFFAOYSA-N
XLogP1.87
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone with MolForge

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Related Compounds

N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide
CID 122558635
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[5-methyl-4-(phenoxymethyl)-1,2-oxazol-3-yl]methanone
CID 19488081
(5-methylsulfanylthiophen-2-yl)-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 4678507
[4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19444372
[4-[(3-bromophenyl)methyl]piperazin-1-yl]-[5-methyl-4-(phenoxymethyl)-1,2-oxazol-3-yl]methanone
CID 19488152
(4-chloro-5-methyl-1H-pyrazol-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 119063045
2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 46684654
(2,6-dimethoxyphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 1112890
[4-[(2,3-dimethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19490559
methyl 4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]benzoate
CID 19572760
[5-(methylsulfanylmethyl)furan-2-yl]-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 118783397
(4-benzylpiperazin-1-yl)-[4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]methanone
CID 19483844

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone (CID 118766446) is [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone is COCc1c(C(=O)N2CCCN(Cc3cccnc3)CC2)noc1C.
What is the InChIKey of [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone?
The InChIKey is ASXHBJSUMXMMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-14-16(13-24-2)17(20-25-14)18(23)22-8-4-7-21(9-10-22)12-15-5-3-6-19-11-15/h3,5-6,11H,4,7-10,12-13H2,1-2H3.
What are the key properties of [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone?
[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone has a molecular weight of 344.42 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 118766446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).