[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium

C25H26N3O+ — CID 8640784

IUPAC[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
SMILESCc1ccc([C@H]([NH2+][C@H](C)c2nnc(-c3cccc(C)c3)o2)c2ccccc2)cc1
InChIInChI=1S/C25H25N3O/c1-17-12-14-21(15-13-17)23(20-9-5-4-6-10-20)26-19(3)24-27-28-25(29-24)22-11-7-8-18(2)16-22/h4-16,19,23,26H,1-3H3/p+1/t19-,23-/m1/s1
InChIKeyFHSBZDTXDMETJK-AUSIDOKSSA-O
MW384.50 g/mol
LogP4.77
Rot. Bonds6

About [(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium

[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium (PubChem CID 8640784) has the molecular formula C25H26N3O+ and a molecular weight of 384.50 g/mol. Its IUPAC name is [(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
PubChem CID8640784
Molecular FormulaC25H26N3O+
Molecular Weight384.50 g/mol
Exact Mass384.21
IUPAC Name[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
SMILESCc1ccc([C@H]([NH2+][C@H](C)c2nnc(-c3cccc(C)c3)o2)c2ccccc2)cc1
InChIInChI=1S/C25H25N3O/c1-17-12-14-21(15-13-17)23(20-9-5-4-6-10-20)26-19(3)24-27-28-25(29-24)22-11-7-8-18(2)16-22/h4-16,19,23,26H,1-3H3/p+1/t19-,23-/m1/s1
InChIKeyFHSBZDTXDMETJK-AUSIDOKSSA-O
XLogP4.77
TPSA55.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium with MolForge

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Related Compounds

[(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 8866842
1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanol
CID 66596920
2-[(1S)-1-chloroethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 7129414
2-(dichloromethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 43913057
2-(3-methylphenyl)-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
CID 7629943
(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(S)-(4-methylphenyl)-phenylmethyl]ethanamine
CID 8641751
2-(3-methylphenyl)-5-[1-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 17396975
2-[(1S)-1-(4-bromophenyl)sulfanylethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 51923748
2-[1-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 78807673
2-methoxy-5-methyl-N-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline
CID 40940269
(4-chlorophenyl)methyl-methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]azanium
CID 8540659
2-(3-methylphenyl)-5-[(4-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 7417780

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium?
The IUPAC name of [(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium (CID 8640784) is [(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium.
What is the SMILES notation for [(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium?
The canonical SMILES for [(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium is Cc1ccc([C@H]([NH2+][C@H](C)c2nnc(-c3cccc(C)c3)o2)c2ccccc2)cc1.
What is the InChIKey of [(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium?
The InChIKey is FHSBZDTXDMETJK-AUSIDOKSSA-O. The full InChI is InChI=1S/C25H25N3O/c1-17-12-14-21(15-13-17)23(20-9-5-4-6-10-20)26-19(3)24-27-28-25(29-24)22-11-7-8-18(2)16-22/h4-16,19,23,26H,1-3H3/p+1/t19-,23-/m1/s1.
What are the key properties of [(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium?
[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium has a molecular weight of 384.50 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium is sourced from PubChem (CID 8640784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).