(2S)-2-(1-ethylpyrazol-4-yl)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine

C16H19N5O3 — CID 124622469

IUPAC(2S)-2-(1-ethylpyrazol-4-yl)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine
SMILESCCn1cc([C@H]2CN(Cc3nnc(-c4ccco4)o3)CCO2)cn1
InChIInChI=1S/C16H19N5O3/c1-2-21-9-12(8-17-21)14-10-20(5-7-23-14)11-15-18-19-16(24-15)13-4-3-6-22-13/h3-4,6,8-9,14H,2,5,7,10-11H2,1H3/t14-/m1/s1
InChIKeyORNXKSXQUFMNCC-CQSZACIVSA-N
MW329.36 g/mol
LogP2.12
Rot. Bonds5

About (2S)-2-(1-ethylpyrazol-4-yl)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine

(2S)-2-(1-ethylpyrazol-4-yl)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine (PubChem CID 124622469) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is (2S)-2-(1-ethylpyrazol-4-yl)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-(1-ethylpyrazol-4-yl)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine
PubChem CID124622469
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name(2S)-2-(1-ethylpyrazol-4-yl)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine
SMILESCCn1cc([C@H]2CN(Cc3nnc(-c4ccco4)o3)CCO2)cn1
InChIInChI=1S/C16H19N5O3/c1-2-21-9-12(8-17-21)14-10-20(5-7-23-14)11-15-18-19-16(24-15)13-4-3-6-22-13/h3-4,6,8-9,14H,2,5,7,10-11H2,1H3/t14-/m1/s1
InChIKeyORNXKSXQUFMNCC-CQSZACIVSA-N
XLogP2.12
TPSA82.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1-ethylpyrazol-4-yl)-4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 126804830
[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholin-2-yl]methanol
CID 79833803
(2R)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95277664
4-[(1-ethylpyrazol-4-yl)methyl]-2-phenylmorpholine
CID 75438520
2-[[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]methyl]-5-fluoro-1,3-benzoxazole
CID 126810576
2-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 63873892
N-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]ethyl]-N-methylaniline
CID 124622494
(2S)-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(1-ethylpyrazol-4-yl)morpholine
CID 124622467
2-(furan-2-yl)-5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 53497956
(2S,5S)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-2-phenylmorpholine
CID 95182210
2-(furan-2-yl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole
CID 43090469
2-[[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 124753304

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-ethylpyrazol-4-yl)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine?
The IUPAC name of (2S)-2-(1-ethylpyrazol-4-yl)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine (CID 124622469) is (2S)-2-(1-ethylpyrazol-4-yl)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine.
What is the SMILES notation for (2S)-2-(1-ethylpyrazol-4-yl)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine?
The canonical SMILES for (2S)-2-(1-ethylpyrazol-4-yl)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine is CCn1cc([C@H]2CN(Cc3nnc(-c4ccco4)o3)CCO2)cn1.
What is the InChIKey of (2S)-2-(1-ethylpyrazol-4-yl)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine?
The InChIKey is ORNXKSXQUFMNCC-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-2-21-9-12(8-17-21)14-10-20(5-7-23-14)11-15-18-19-16(24-15)13-4-3-6-22-13/h3-4,6,8-9,14H,2,5,7,10-11H2,1H3/t14-/m1/s1.
What are the key properties of (2S)-2-(1-ethylpyrazol-4-yl)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine?
(2S)-2-(1-ethylpyrazol-4-yl)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine has a molecular weight of 329.36 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-ethylpyrazol-4-yl)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine is sourced from PubChem (CID 124622469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).