2-propan-2-yl-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-oxazepane

C14H25N3O2 — CID 128514790

IUPAC2-propan-2-yl-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-oxazepane
SMILESCCCc1nc(CN2CCCOC(C(C)C)C2)no1
InChIInChI=1S/C14H25N3O2/c1-4-6-14-15-13(16-19-14)10-17-7-5-8-18-12(9-17)11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyQUPGAQGUGIVWII-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.27
Rot. Bonds5

About 2-propan-2-yl-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-oxazepane

2-propan-2-yl-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-oxazepane (PubChem CID 128514790) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-propan-2-yl-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-oxazepane.

Molecular Properties

Compound Name2-propan-2-yl-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-oxazepane
PubChem CID128514790
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-propan-2-yl-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-oxazepane
SMILESCCCc1nc(CN2CCCOC(C(C)C)C2)no1
InChIInChI=1S/C14H25N3O2/c1-4-6-14-15-13(16-19-14)10-17-7-5-8-18-12(9-17)11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyQUPGAQGUGIVWII-UHFFFAOYSA-N
XLogP2.27
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]morpholin-2-yl]ethanamine
CID 81491345
(3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol
CID 107225702
(2S)-2-methyl-4-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-oxazepane
CID 124757493
5-(3-methylbutyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 63342313
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one
CID 71823742
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119918906
3-[(2-methylpiperazin-1-yl)methyl]-5-propyl-1,2,4-oxadiazole;hydrochloride
CID 119916375
(3R)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905236
[3-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120750400
4-[6-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
CID 86773300
2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]ethanol
CID 62357687
(2R,3S)-2-methyl-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxamide
CID 128986971

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-oxazepane?
The IUPAC name of 2-propan-2-yl-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-oxazepane (CID 128514790) is 2-propan-2-yl-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-oxazepane.
What is the SMILES notation for 2-propan-2-yl-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-oxazepane?
The canonical SMILES for 2-propan-2-yl-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-oxazepane is CCCc1nc(CN2CCCOC(C(C)C)C2)no1.
What is the InChIKey of 2-propan-2-yl-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-oxazepane?
The InChIKey is QUPGAQGUGIVWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-6-14-15-13(16-19-14)10-17-7-5-8-18-12(9-17)11(2)3/h11-12H,4-10H2,1-3H3.
What are the key properties of 2-propan-2-yl-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-oxazepane?
2-propan-2-yl-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-oxazepane has a molecular weight of 267.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-oxazepane is sourced from PubChem (CID 128514790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).