[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methanamine

C11H11ClN2O — CID 71683764

IUPAC[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methanamine
SMILESCc1nc(CN)oc1-c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2O/c1-7-11(15-10(6-13)14-7)8-2-4-9(12)5-3-8/h2-5H,6,13H2,1H3
InChIKeyUKQPXMCCYSGFEO-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.76
Rot. Bonds2

About [5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methanamine

[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methanamine (PubChem CID 71683764) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methanamine
PubChem CID71683764
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methanamine
SMILESCc1nc(CN)oc1-c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2O/c1-7-11(15-10(6-13)14-7)8-2-4-9(12)5-3-8/h2-5H,6,13H2,1H3
InChIKeyUKQPXMCCYSGFEO-UHFFFAOYSA-N
XLogP2.76
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(dipropylamino)ethyl]piperidine-4-carboxamide
CID 3240581
2-(4-chlorophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide
CID 1486770
1-(4,5-Diphenyl-1,3-oxazol-2-yl)methanamine
CID 214449
4-(Chloromethyl)-2-(4-chlorophenyl)-5-methyl-1,3-oxazole
CID 3613658
4-(Chloromethyl)-5-methyl-2-phenyl-1,3-oxazole
CID 9794289
2-(4-Chlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile
CID 661037
2-(4-Chlorophenyl)-5-[(2-methoxyethyl)amino]-1,3-oxazole-4-carbonitrile
CID 661088
1-{[2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-YL]methyl}-N-[2-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 16008010
1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 16008012
1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[3-(dipropylamino)propyl]piperidine-3-carboxamide
CID 16008031
4,5-Bis-(4-chloro-phenyl)-oxazole-2-carboxylic acid cyclohexylamide
CID 44390004
N4-methyl-5-(4-chlorophenyl)-1,3-oxazole-4-carboxamide
CID 2739496

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methanamine (CID 71683764) is [5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methanamine is Cc1nc(CN)oc1-c1ccc(Cl)cc1.
What is the InChIKey of [5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methanamine?
The InChIKey is UKQPXMCCYSGFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-7-11(15-10(6-13)14-7)8-2-4-9(12)5-3-8/h2-5H,6,13H2,1H3.
What are the key properties of [5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methanamine?
[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methanamine has a molecular weight of 222.68 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 71683764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).