N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine

C17H27N5O2 — CID 71928582

IUPACN-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCCCc1noc(C(C)NCC2CCOC2c2cnn(CC)c2)n1
InChIInChI=1S/C17H27N5O2/c1-4-6-15-20-17(24-21-15)12(3)18-9-13-7-8-23-16(13)14-10-19-22(5-2)11-14/h10-13,16,18H,4-9H2,1-3H3
InChIKeyWFZPPLRNZOIXMK-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.67
Rot. Bonds8

About N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine

N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 71928582) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID71928582
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC NameN-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCCCc1noc(C(C)NCC2CCOC2c2cnn(CC)c2)n1
InChIInChI=1S/C17H27N5O2/c1-4-6-15-20-17(24-21-15)12(3)18-9-13-7-8-23-16(13)14-10-19-22(5-2)11-14/h10-13,16,18H,4-9H2,1-3H3
InChIKeyWFZPPLRNZOIXMK-UHFFFAOYSA-N
XLogP2.67
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 113344558
(2R)-2-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-morpholin-4-ylpropan-1-one
CID 98787315
N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine
CID 71873016
[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 96835165
(1S)-N-[[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-pyridin-4-ylethanamine
CID 97217303
N-[(1-ethylpyrazol-4-yl)methyl]-1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 97060263
N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 71929279
1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 97060257
1-[(2R,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 97060259
2-(1-ethylpyrazol-4-yl)oxolan-3-amine
CID 103848592
1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine
CID 96997103
(1S)-1-(2,4-difluorophenyl)-N-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]propan-1-amine
CID 97025833

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine (CID 71928582) is N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine is CCCc1noc(C(C)NCC2CCOC2c2cnn(CC)c2)n1.
What is the InChIKey of N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is WFZPPLRNZOIXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-4-6-15-20-17(24-21-15)12(3)18-9-13-7-8-23-16(13)14-10-19-22(5-2)11-14/h10-13,16,18H,4-9H2,1-3H3.
What are the key properties of N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine?
N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 333.44 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 71928582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).