[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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Related Compounds

1-[4-[1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carbonyl]piperazin-1-yl]ethanone
CID 53179060
1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid
CID 56766811
1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-5-methylpyrazole-4-carboxamide
CID 53179048
[1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 53489754
3,4-dihydro-1H-isoquinolin-2-yl-[5-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazol-4-yl]methanone
CID 53179011
[1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 53178987
N-cyclopropyl-5-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 53178942
[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-morpholin-4-ylmethanone
CID 53178647
N-[(2R)-butan-2-yl]-1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carboxamide
CID 95104498
[1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 53489733
N-(2-methoxyethyl)-5-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 53178953
5-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide
CID 95104450

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).