3-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole

C19H21N5O2 — CID 154880816

IUPAC3-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
SMILESCn1cc(-c2nc(-c3ccc(OCC4CN4CC4CC4)cc3)no2)cn1
InChIInChI=1S/C19H21N5O2/c1-23-10-15(8-20-23)19-21-18(22-26-19)14-4-6-17(7-5-14)25-12-16-11-24(16)9-13-2-3-13/h4-8,10,13,16H,2-3,9,11-12H2,1H3
InChIKeyWTWHFKGRTRVUGP-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.61
Rot. Bonds7

About 3-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole

3-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole (PubChem CID 154880816) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
PubChem CID154880816
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name3-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
SMILESCn1cc(-c2nc(-c3ccc(OCC4CN4CC4CC4)cc3)no2)cn1
InChIInChI=1S/C19H21N5O2/c1-23-10-15(8-20-23)19-21-18(22-26-19)14-4-6-17(7-5-14)25-12-16-11-24(16)9-13-2-3-13/h4-8,10,13,16H,2-3,9,11-12H2,1H3
InChIKeyWTWHFKGRTRVUGP-UHFFFAOYSA-N
XLogP2.61
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 135966775
5-[4-(cyclopropylmethoxy)phenyl]-3-methyl-1,2,4-oxadiazole
CID 91283745
5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867105
4-methyl-3-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine
CID 154880789
2-bromo-5-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813758
2-[4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]anilino]ethanol
CID 65196493
5-[4-[2-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine
CID 123947365
2-ethoxy-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633935
1-methyl-N-[4-[[1-(2-methylpropyl)aziridin-2-yl]methoxy]phenyl]pyrazole-4-carboxamide
CID 154881275
3-(4-ethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527903
3-[4-[(1-cyclobutylaziridin-2-yl)methoxy]phenyl]-1-methyl-1,2,4-triazole
CID 154880089
3-(4-methoxyphenyl)-5-[(1-methylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazole
CID 154771153

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole (CID 154880816) is 3-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole is Cn1cc(-c2nc(-c3ccc(OCC4CN4CC4CC4)cc3)no2)cn1.
What is the InChIKey of 3-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is WTWHFKGRTRVUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-23-10-15(8-20-23)19-21-18(22-26-19)14-4-6-17(7-5-14)25-12-16-11-24(16)9-13-2-3-13/h4-8,10,13,16H,2-3,9,11-12H2,1H3.
What are the key properties of 3-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole?
3-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 351.41 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 154880816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).