[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

C19H21N5O3 — CID 75474989

IUPAC[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCOCC2c2noc(-c3ccccc3)n2)n[nH]1
InChIInChI=1S/C19H21N5O3/c1-12(2)14-10-15(22-21-14)19(25)24-8-9-26-11-16(24)17-20-18(27-23-17)13-6-4-3-5-7-13/h3-7,10,12,16H,8-9,11H2,1-2H3,(H,21,22)
InChIKeyCKDHARIXGVEMBR-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.80
Rot. Bonds4

About [3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 75474989) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is [3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID75474989
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCOCC2c2noc(-c3ccccc3)n2)n[nH]1
InChIInChI=1S/C19H21N5O3/c1-12(2)14-10-15(22-21-14)19(25)24-8-9-26-11-16(24)17-20-18(27-23-17)13-6-4-3-5-7-13/h3-7,10,12,16H,8-9,11H2,1-2H3,(H,21,22)
InChIKeyCKDHARIXGVEMBR-UHFFFAOYSA-N
XLogP2.80
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 75474989) is [3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is CC(C)c1cc(C(=O)N2CCOCC2c2noc(-c3ccccc3)n2)n[nH]1.
What is the InChIKey of [3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is CKDHARIXGVEMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-12(2)14-10-15(22-21-14)19(25)24-8-9-26-11-16(24)17-20-18(27-23-17)13-6-4-3-5-7-13/h3-7,10,12,16H,8-9,11H2,1-2H3,(H,21,22).
What are the key properties of [3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 367.41 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 75474989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).