5-[6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole

C21H21N5O2 — CID 56911631

IUPAC5-[6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc(Cn2cc(-c3ccc(-c4nc(C(C)C)no4)cn3)cn2)cc1
InChIInChI=1S/C21H21N5O2/c1-14(2)20-24-21(28-25-20)16-6-9-19(22-10-16)17-11-23-26(13-17)12-15-4-7-18(27-3)8-5-15/h4-11,13-14H,12H2,1-3H3
InChIKeyMHOPSYHXOMLZKI-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.18
Rot. Bonds6

About 5-[6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole

5-[6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 56911631) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 5-[6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID56911631
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name5-[6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc(Cn2cc(-c3ccc(-c4nc(C(C)C)no4)cn3)cn2)cc1
InChIInChI=1S/C21H21N5O2/c1-14(2)20-24-21(28-25-20)16-6-9-19(22-10-16)17-11-23-26(13-17)12-15-4-7-18(27-3)8-5-15/h4-11,13-14H,12H2,1-3H3
InChIKeyMHOPSYHXOMLZKI-UHFFFAOYSA-N
XLogP4.18
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

3-methoxy-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyridazine
CID 72855762
4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-6-propan-2-ylpyrimidine
CID 121496283
N-[(4-methoxyphenyl)methyl]-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53489805
4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]aniline
CID 63328527
2-chloro-3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyridine
CID 137373649
4-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]benzamide
CID 56891914
2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetic acid
CID 23010469
5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxylic acid
CID 122559517
N-[(3-methoxyphenyl)methyl]-5-methyl-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 53490146
5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridin-2-amine
CID 29029235
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone
CID 25238092
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide
CID 119526509

Frequently Asked Questions

What is the IUPAC name of 5-[6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole (CID 56911631) is 5-[6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole is COc1ccc(Cn2cc(-c3ccc(-c4nc(C(C)C)no4)cn3)cn2)cc1.
What is the InChIKey of 5-[6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is MHOPSYHXOMLZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-14(2)20-24-21(28-25-20)16-6-9-19(22-10-16)17-11-23-26(13-17)12-15-4-7-18(27-3)8-5-15/h4-11,13-14H,12H2,1-3H3.
What are the key properties of 5-[6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 375.43 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 56911631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).