3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]azepan-2-yl]-5-propyl-1,2-oxazole

C19H30N4O — CID 46954889

IUPAC3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]azepan-2-yl]-5-propyl-1,2-oxazole
SMILESCCCc1cc(C2CCCCCN2Cc2cn(CC)nc2C)no1
InChIInChI=1S/C19H30N4O/c1-4-9-17-12-18(21-24-17)19-10-7-6-8-11-22(19)13-16-14-23(5-2)20-15(16)3/h12,14,19H,4-11,13H2,1-3H3
InChIKeyDHHUXLPZKZTAAJ-UHFFFAOYSA-N
MW330.48 g/mol
LogP4.27
Rot. Bonds6

About 3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]azepan-2-yl]-5-propyl-1,2-oxazole

3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]azepan-2-yl]-5-propyl-1,2-oxazole (PubChem CID 46954889) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]azepan-2-yl]-5-propyl-1,2-oxazole.

Molecular Properties

Compound Name3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]azepan-2-yl]-5-propyl-1,2-oxazole
PubChem CID46954889
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]azepan-2-yl]-5-propyl-1,2-oxazole
SMILESCCCc1cc(C2CCCCCN2Cc2cn(CC)nc2C)no1
InChIInChI=1S/C19H30N4O/c1-4-9-17-12-18(21-24-17)19-10-7-6-8-11-22(19)13-16-14-23(5-2)20-15(16)3/h12,14,19H,4-11,13H2,1-3H3
InChIKeyDHHUXLPZKZTAAJ-UHFFFAOYSA-N
XLogP4.27
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-Cyclopropyl-1,2-oxazol-3-yl)-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 53564276
(5-Methyl-1,2-oxazol-3-yl)-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53567565
(5-Methyl-1,2-oxazol-3-yl)-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53598743
5-Methyl-3-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 53602709
5-Methyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2-oxazole
CID 53608783
3-Methyl-5-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2-oxazole
CID 53608942
5-Methyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 53626958
1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-2-(5-methyl-3-isoxazolyl)azepane
CID 56920179
5-propan-2-yl-3-(pyrazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 97405679
3-[1-[(1,3-Dimethylpyrazol-4-yl)methyl]azepan-2-yl]-5-methyl-1,2-oxazole
CID 110226118
2-(4-Chloropyrazol-1-yl)-1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
CID 22586636
5-Methyl-3-[1-(1-methyl-1H-pyrazole-3-carbonyl)pyrrolidin-2-YL]-1,2-oxazole
CID 22586640

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]azepan-2-yl]-5-propyl-1,2-oxazole?
The IUPAC name of 3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]azepan-2-yl]-5-propyl-1,2-oxazole (CID 46954889) is 3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]azepan-2-yl]-5-propyl-1,2-oxazole.
What is the SMILES notation for 3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]azepan-2-yl]-5-propyl-1,2-oxazole?
The canonical SMILES for 3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]azepan-2-yl]-5-propyl-1,2-oxazole is CCCc1cc(C2CCCCCN2Cc2cn(CC)nc2C)no1.
What is the InChIKey of 3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]azepan-2-yl]-5-propyl-1,2-oxazole?
The InChIKey is DHHUXLPZKZTAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-4-9-17-12-18(21-24-17)19-10-7-6-8-11-22(19)13-16-14-23(5-2)20-15(16)3/h12,14,19H,4-11,13H2,1-3H3.
What are the key properties of 3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]azepan-2-yl]-5-propyl-1,2-oxazole?
3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]azepan-2-yl]-5-propyl-1,2-oxazole has a molecular weight of 330.48 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]azepan-2-yl]-5-propyl-1,2-oxazole is sourced from PubChem (CID 46954889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).