5-(3-chlorophenyl)-2-[[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole

C18H20ClN5O — CID 97076109

IUPAC5-(3-chlorophenyl)-2-[[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole
SMILESCn1cnnc1[C@@H]1CCCN(Cc2ncc(-c3cccc(Cl)c3)o2)C1
InChIInChI=1S/C18H20ClN5O/c1-23-12-21-22-18(23)14-5-3-7-24(10-14)11-17-20-9-16(25-17)13-4-2-6-15(19)8-13/h2,4,6,8-9,12,14H,3,5,7,10-11H2,1H3/t14-/m1/s1
InChIKeyHOIHZVPHOGGZIG-CQSZACIVSA-N
MW357.85 g/mol
LogP3.50
Rot. Bonds4

About 5-(3-chlorophenyl)-2-[[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole

5-(3-chlorophenyl)-2-[[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole (PubChem CID 97076109) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-2-[[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-(3-chlorophenyl)-2-[[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole
PubChem CID97076109
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC Name5-(3-chlorophenyl)-2-[[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole
SMILESCn1cnnc1[C@@H]1CCCN(Cc2ncc(-c3cccc(Cl)c3)o2)C1
InChIInChI=1S/C18H20ClN5O/c1-23-12-21-22-18(23)14-5-3-7-24(10-14)11-17-20-9-16(25-17)13-4-2-6-15(19)8-13/h2,4,6,8-9,12,14H,3,5,7,10-11H2,1H3/t14-/m1/s1
InChIKeyHOIHZVPHOGGZIG-CQSZACIVSA-N
XLogP3.50
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine;dihydrochloride
CID 119918897
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-methylpiperidin-4-amine;dihydrochloride
CID 119924998
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;dihydrochloride
CID 120774108
1-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine
CID 119919861
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119906619
5-(3-chlorophenyl)-2-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazole
CID 60500597
(3S)-3-(4-methyl-1,2,4-triazol-3-yl)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperidine
CID 97076108
5-(3-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)-1,3-oxazole
CID 71864980
5-(3-chlorophenyl)-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 78808140
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 112798635
(3S)-1-(cyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 95821575
2-[[3-(phenoxymethyl)piperidin-1-yl]methyl]-5-phenyl-1,3-oxazole
CID 86972382

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-2-[[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-(3-chlorophenyl)-2-[[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole (CID 97076109) is 5-(3-chlorophenyl)-2-[[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-(3-chlorophenyl)-2-[[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-(3-chlorophenyl)-2-[[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole is Cn1cnnc1[C@@H]1CCCN(Cc2ncc(-c3cccc(Cl)c3)o2)C1.
What is the InChIKey of 5-(3-chlorophenyl)-2-[[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is HOIHZVPHOGGZIG-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20ClN5O/c1-23-12-21-22-18(23)14-5-3-7-24(10-14)11-17-20-9-16(25-17)13-4-2-6-15(19)8-13/h2,4,6,8-9,12,14H,3,5,7,10-11H2,1H3/t14-/m1/s1.
What are the key properties of 5-(3-chlorophenyl)-2-[[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole?
5-(3-chlorophenyl)-2-[[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 357.85 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-2-[[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 97076109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).