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

C18H29N5O2 — CID 71928588

IUPACN-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCn1cc(C2OCCC2CNC(C)c2nnc(CC(C)C)o2)cn1
InChIInChI=1S/C18H29N5O2/c1-5-23-11-15(10-20-23)17-14(6-7-24-17)9-19-13(4)18-22-21-16(25-18)8-12(2)3/h10-14,17,19H,5-9H2,1-4H3
InChIKeyFEKCDTAWZUZJDM-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.91
Rot. Bonds8

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

N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 71928588) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID71928588
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCn1cc(C2OCCC2CNC(C)c2nnc(CC(C)C)o2)cn1
InChIInChI=1S/C18H29N5O2/c1-5-23-11-15(10-20-23)17-14(6-7-24-17)9-19-13(4)18-22-21-16(25-18)8-12(2)3/h10-14,17,19H,5-9H2,1-4H3
InChIKeyFEKCDTAWZUZJDM-UHFFFAOYSA-N
XLogP2.91
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[2-(1-Methylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 71928668
(3R)-3-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 97009835
(3R)-3-[[(2R,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 97009837
(3S)-3-[[(2R,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 129490442
(3S)-3-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 129490443
3-[[2-(1-Ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-5-methyloxolan-2-one
CID 71872754
2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-N-prop-2-enylpropanamide
CID 71872755
2-[[2-(1-Ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-morpholin-4-ylpropan-1-one
CID 71872756
2-[[2-(1-Ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 71928578
2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-N-(2-methylpropyl)propanamide
CID 71928579
2-[[2-(1-Ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 71928580
N,N-diethyl-2-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]propanamide
CID 71928663

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 71928588) is N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine is CCn1cc(C2OCCC2CNC(C)c2nnc(CC(C)C)o2)cn1.
What is the InChIKey of N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is FEKCDTAWZUZJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-5-23-11-15(10-20-23)17-14(6-7-24-17)9-19-13(4)18-22-21-16(25-18)8-12(2)3/h10-14,17,19H,5-9H2,1-4H3.
What are the key properties of N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine?
N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 347.46 g/mol, XLogP of 2.91, 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-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 71928588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).