(1R)-1-(4-chlorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)ethanamine

C13H15ClN2O — CID 95351075

IUPAC(1R)-1-(4-chlorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)ethanamine
SMILESC[C@H](c1ccc(Cl)cc1)N(C)Cc1ccon1
InChIInChI=1S/C13H15ClN2O/c1-10(11-3-5-12(14)6-4-11)16(2)9-13-7-8-17-15-13/h3-8,10H,9H2,1-2H3/t10-/m1/s1
InChIKeyHLSCNLQRXNKIMU-SNVBAGLBSA-N
MW250.73 g/mol
LogP3.52
Rot. Bonds4

About (1R)-1-(4-chlorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)ethanamine

(1R)-1-(4-chlorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)ethanamine (PubChem CID 95351075) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is (1R)-1-(4-chlorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-chlorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)ethanamine
PubChem CID95351075
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name(1R)-1-(4-chlorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)ethanamine
SMILESC[C@H](c1ccc(Cl)cc1)N(C)Cc1ccon1
InChIInChI=1S/C13H15ClN2O/c1-10(11-3-5-12(14)6-4-11)16(2)9-13-7-8-17-15-13/h3-8,10H,9H2,1-2H3/t10-/m1/s1
InChIKeyHLSCNLQRXNKIMU-SNVBAGLBSA-N
XLogP3.52
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]pyridin-4-amine
CID 79251688
(1S)-1-(4-chlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethanamine
CID 138056238
N-[[4-(aminomethyl)phenyl]methyl]-1-(4-chlorophenyl)-N-methylethanamine
CID 62978179
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(4-chlorophenyl)-N-methylethanamine;hydrochloride
CID 120750945
6-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-N-methylpyridin-2-amine
CID 79233617
1-(4-chlorophenyl)-N-(1,2-oxazol-3-ylmethyl)butan-1-amine
CID 81169865
N-methyl-N-(1,2-oxazol-3-ylmethyl)sulfamoyl chloride
CID 165491085
N-(2-bromoethyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 62984148
2-(5-chloro-2-methoxyphenyl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetic acid
CID 72895273
(2S)-2-(3-chloro-4-methoxyphenyl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetic acid
CID 97190063
(2S)-2-(5-chloro-2-methoxyphenyl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetic acid
CID 97199953
N-[4-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 134001362

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chlorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-(4-chlorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)ethanamine (CID 95351075) is (1R)-1-(4-chlorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-(4-chlorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-(4-chlorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)ethanamine is C[C@H](c1ccc(Cl)cc1)N(C)Cc1ccon1.
What is the InChIKey of (1R)-1-(4-chlorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)ethanamine?
The InChIKey is HLSCNLQRXNKIMU-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-10(11-3-5-12(14)6-4-11)16(2)9-13-7-8-17-15-13/h3-8,10H,9H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-(4-chlorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)ethanamine?
(1R)-1-(4-chlorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)ethanamine has a molecular weight of 250.73 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chlorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)ethanamine is sourced from PubChem (CID 95351075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).