[1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-morpholin-4-ylmethanone

C20H24N6O3 — CID 53179056

IUPAC[1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-morpholin-4-ylmethanone
SMILESCc1c(C(=O)N2CCOCC2)cnn1-c1cc(-c2nc(C(C)(C)C)no2)ccn1
InChIInChI=1S/C20H24N6O3/c1-13-15(18(27)25-7-9-28-10-8-25)12-22-26(13)16-11-14(5-6-21-16)17-23-19(24-29-17)20(2,3)4/h5-6,11-12H,7-10H2,1-4H3
InChIKeyZOTJMKYDNPNLNV-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.40
Rot. Bonds3

About [1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-morpholin-4-ylmethanone

[1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 53179056) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is [1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-morpholin-4-ylmethanone
PubChem CID53179056
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC Name[1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-morpholin-4-ylmethanone
SMILESCc1c(C(=O)N2CCOCC2)cnn1-c1cc(-c2nc(C(C)(C)C)no2)ccn1
InChIInChI=1S/C20H24N6O3/c1-13-15(18(27)25-7-9-28-10-8-25)12-22-26(13)16-11-14(5-6-21-16)17-23-19(24-29-17)20(2,3)4/h5-6,11-12H,7-10H2,1-4H3
InChIKeyZOTJMKYDNPNLNV-UHFFFAOYSA-N
XLogP2.40
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-morpholin-4-ylmethanone (CID 53179056) is [1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-morpholin-4-ylmethanone is Cc1c(C(=O)N2CCOCC2)cnn1-c1cc(-c2nc(C(C)(C)C)no2)ccn1.
What is the InChIKey of [1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is ZOTJMKYDNPNLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-13-15(18(27)25-7-9-28-10-8-25)12-22-26(13)16-11-14(5-6-21-16)17-23-19(24-29-17)20(2,3)4/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of [1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-morpholin-4-ylmethanone?
[1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 396.45 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 53179056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).