[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium

C21H18ClN2OS+ — CID 8863492

IUPAC[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium
SMILESClc1ccc(-c2cnc(C[NH2+][C@H](c3ccccc3)c3cccs3)o2)cc1
InChIInChI=1S/C21H17ClN2OS/c22-17-10-8-15(9-11-17)18-13-23-20(25-18)14-24-21(19-7-4-12-26-19)16-5-2-1-3-6-16/h1-13,21,24H,14H2/p+1/t21-/m1/s1
InChIKeySCZFTZKVLQBQTL-OAQYLSRUSA-O
MW381.91 g/mol
LogP4.91
Rot. Bonds6

About [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium

[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium (PubChem CID 8863492) has the molecular formula C21H18ClN2OS+ and a molecular weight of 381.91 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium
PubChem CID8863492
Molecular FormulaC21H18ClN2OS+
Molecular Weight381.91 g/mol
Exact Mass381.08
IUPAC Name[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium
SMILESClc1ccc(-c2cnc(C[NH2+][C@H](c3ccccc3)c3cccs3)o2)cc1
InChIInChI=1S/C21H17ClN2OS/c22-17-10-8-15(9-11-17)18-13-23-20(25-18)14-24-21(19-7-4-12-26-19)16-5-2-1-3-6-16/h1-13,21,24H,14H2/p+1/t21-/m1/s1
InChIKeySCZFTZKVLQBQTL-OAQYLSRUSA-O
XLogP4.91
TPSA42.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.91
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 8863493
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 9051494
(1R)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 8864475
(1S)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 8864461
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 8868523
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-1-phenylpropan-1-amine
CID 78817732
[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 8864576
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 8863582
[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 46695183
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 8863848
[(R)-phenyl(thiophen-2-yl)methyl]-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]azanium
CID 8866823
[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-hydroxy-2-methyl-3-phenylbutanoate
CID 75424220

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium?
The IUPAC name of [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium (CID 8863492) is [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium.
What is the SMILES notation for [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium?
The canonical SMILES for [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium is Clc1ccc(-c2cnc(C[NH2+][C@H](c3ccccc3)c3cccs3)o2)cc1.
What is the InChIKey of [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium?
The InChIKey is SCZFTZKVLQBQTL-OAQYLSRUSA-O. The full InChI is InChI=1S/C21H17ClN2OS/c22-17-10-8-15(9-11-17)18-13-23-20(25-18)14-24-21(19-7-4-12-26-19)16-5-2-1-3-6-16/h1-13,21,24H,14H2/p+1/t21-/m1/s1.
What are the key properties of [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium?
[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium has a molecular weight of 381.91 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium is sourced from PubChem (CID 8863492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).