N-methyl-2-[2-[(4-methylphenyl)methyl]-1,3-oxazol-5-yl]ethanamine

C14H18N2O — CID 115006501

IUPACN-methyl-2-[2-[(4-methylphenyl)methyl]-1,3-oxazol-5-yl]ethanamine
SMILESCNCCc1cnc(Cc2ccc(C)cc2)o1
InChIInChI=1S/C14H18N2O/c1-11-3-5-12(6-4-11)9-14-16-10-13(17-14)7-8-15-2/h3-6,10,15H,7-9H2,1-2H3
InChIKeySPOSGNCVDIYHHA-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.34
Rot. Bonds5

About N-methyl-2-[2-[(4-methylphenyl)methyl]-1,3-oxazol-5-yl]ethanamine

N-methyl-2-[2-[(4-methylphenyl)methyl]-1,3-oxazol-5-yl]ethanamine (PubChem CID 115006501) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-methyl-2-[2-[(4-methylphenyl)methyl]-1,3-oxazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-[(4-methylphenyl)methyl]-1,3-oxazol-5-yl]ethanamine
PubChem CID115006501
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-methyl-2-[2-[(4-methylphenyl)methyl]-1,3-oxazol-5-yl]ethanamine
SMILESCNCCc1cnc(Cc2ccc(C)cc2)o1
InChIInChI=1S/C14H18N2O/c1-11-3-5-12(6-4-11)9-14-16-10-13(17-14)7-8-15-2/h3-6,10,15H,7-9H2,1-2H3
InChIKeySPOSGNCVDIYHHA-UHFFFAOYSA-N
XLogP2.34
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-5-yl]-N-methylethanamine
CID 115086967
N-methyl-3-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]propan-1-amine
CID 115086973
N-[[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65183700
3-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187177
N-[2-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182439
N-methyl-2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 55061768
N-methyl-2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine
CID 115085300
2-[[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]methyl]phenol
CID 115086866
N-methyl-3-[2-(thiophen-2-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine
CID 115087589
3-[2-[(4-bromophenyl)methyl]-1,3-oxazol-5-yl]propan-1-amine
CID 115086975
2-benzyl-5-(4-methylphenyl)-1,3-oxazole
CID 135058309
2-[4,6-dimethyl-2-[(4-methylphenyl)methyl]pyrimidin-5-yl]-N-methylethanamine
CID 62745455

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[(4-methylphenyl)methyl]-1,3-oxazol-5-yl]ethanamine?
The IUPAC name of N-methyl-2-[2-[(4-methylphenyl)methyl]-1,3-oxazol-5-yl]ethanamine (CID 115006501) is N-methyl-2-[2-[(4-methylphenyl)methyl]-1,3-oxazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[2-[(4-methylphenyl)methyl]-1,3-oxazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-2-[2-[(4-methylphenyl)methyl]-1,3-oxazol-5-yl]ethanamine is CNCCc1cnc(Cc2ccc(C)cc2)o1.
What is the InChIKey of N-methyl-2-[2-[(4-methylphenyl)methyl]-1,3-oxazol-5-yl]ethanamine?
The InChIKey is SPOSGNCVDIYHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11-3-5-12(6-4-11)9-14-16-10-13(17-14)7-8-15-2/h3-6,10,15H,7-9H2,1-2H3.
What are the key properties of N-methyl-2-[2-[(4-methylphenyl)methyl]-1,3-oxazol-5-yl]ethanamine?
N-methyl-2-[2-[(4-methylphenyl)methyl]-1,3-oxazol-5-yl]ethanamine has a molecular weight of 230.31 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[(4-methylphenyl)methyl]-1,3-oxazol-5-yl]ethanamine is sourced from PubChem (CID 115006501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).