(2S)-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine

C14H21N5O2 — CID 95277505

IUPAC(2S)-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESCC(C)c1nc(CN2CCO[C@H](Cn3cccn3)C2)no1
InChIInChI=1S/C14H21N5O2/c1-11(2)14-16-13(17-21-14)10-18-6-7-20-12(8-18)9-19-5-3-4-15-19/h3-5,11-12H,6-10H2,1-2H3/t12-/m0/s1
InChIKeyHTSDYHBBFGSYEO-LBPRGKRZSA-N
MW291.36 g/mol
LogP1.29
Rot. Bonds5

About (2S)-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine

(2S)-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine (PubChem CID 95277505) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is (2S)-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
PubChem CID95277505
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name(2S)-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESCC(C)c1nc(CN2CCO[C@H](Cn3cccn3)C2)no1
InChIInChI=1S/C14H21N5O2/c1-11(2)14-16-13(17-21-14)10-18-6-7-20-12(8-18)9-19-5-3-4-15-19/h3-5,11-12H,6-10H2,1-2H3/t12-/m0/s1
InChIKeyHTSDYHBBFGSYEO-LBPRGKRZSA-N
XLogP1.29
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The IUPAC name of (2S)-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine (CID 95277505) is (2S)-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine.
What is the SMILES notation for (2S)-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The canonical SMILES for (2S)-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine is CC(C)c1nc(CN2CCO[C@H](Cn3cccn3)C2)no1.
What is the InChIKey of (2S)-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The InChIKey is HTSDYHBBFGSYEO-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-11(2)14-16-13(17-21-14)10-18-6-7-20-12(8-18)9-19-5-3-4-15-19/h3-5,11-12H,6-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
(2S)-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine has a molecular weight of 291.36 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine is sourced from PubChem (CID 95277505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).