N,N-dimethyl-5-[3-[1-(3-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine

C18H19N5O — CID 138005492

IUPACN,N-dimethyl-5-[3-[1-(3-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
SMILESCc1cccc(C2(c3noc(-c4cnc(N(C)C)cn4)n3)CC2)c1
InChIInChI=1S/C18H19N5O/c1-12-5-4-6-13(9-12)18(7-8-18)17-21-16(24-22-17)14-10-20-15(11-19-14)23(2)3/h4-6,9-11H,7-8H2,1-3H3
InChIKeyXXYVMAYNPXWUKZ-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.98
Rot. Bonds4

About N,N-dimethyl-5-[3-[1-(3-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine

N,N-dimethyl-5-[3-[1-(3-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine (PubChem CID 138005492) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N,N-dimethyl-5-[3-[1-(3-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[3-[1-(3-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
PubChem CID138005492
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN,N-dimethyl-5-[3-[1-(3-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
SMILESCc1cccc(C2(c3noc(-c4cnc(N(C)C)cn4)n3)CC2)c1
InChIInChI=1S/C18H19N5O/c1-12-5-4-6-13(9-12)18(7-8-18)17-21-16(24-22-17)14-10-20-15(11-19-14)23(2)3/h4-6,9-11H,7-8H2,1-3H3
InChIKeyXXYVMAYNPXWUKZ-UHFFFAOYSA-N
XLogP2.98
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-5-[3-[1-(3-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine 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

5-[5-[1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56943738
5-[4-[1-[5-(5-propylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
CID 153059892
1-methyl-3-[1-(3-methylphenyl)cyclohexyl]benzene
CID 19798314
5-(2-methylpyrazol-3-yl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-1,2,4-oxadiazole
CID 166210810
5-[1-(3-methylphenyl)cyclopropyl]-1H-1,2,4-triazol-3-amine
CID 115028784
4-methyl-2-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 114915917
2-methyl-3-[3-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-5-one
CID 166307750
3,5-dichloro-4-[1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]aniline
CID 134180144
5-(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-3-[1-(3-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole
CID 154797294
N,N-dimethyl-4-[4-methyl-1-(3-methylphenyl)cyclohexyl]benzamide
CID 21307110
5-[5-[1-[5-(5-methyl-2H-pyrrol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 157296478
3-methyl-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole
CID 52903741

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[3-[1-(3-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine?
The IUPAC name of N,N-dimethyl-5-[3-[1-(3-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine (CID 138005492) is N,N-dimethyl-5-[3-[1-(3-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[3-[1-(3-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine?
The canonical SMILES for N,N-dimethyl-5-[3-[1-(3-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine is Cc1cccc(C2(c3noc(-c4cnc(N(C)C)cn4)n3)CC2)c1.
What is the InChIKey of N,N-dimethyl-5-[3-[1-(3-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine?
The InChIKey is XXYVMAYNPXWUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-12-5-4-6-13(9-12)18(7-8-18)17-21-16(24-22-17)14-10-20-15(11-19-14)23(2)3/h4-6,9-11H,7-8H2,1-3H3.
What are the key properties of N,N-dimethyl-5-[3-[1-(3-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine?
N,N-dimethyl-5-[3-[1-(3-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine has a molecular weight of 321.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[3-[1-(3-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine is sourced from PubChem (CID 138005492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).