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

C18H26N2O — CID 52586784

IUPACN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]ethanamine
SMILESCCN(Cc1ncc(C(C)(C)C)o1)Cc1ccccc1C
InChIInChI=1S/C18H26N2O/c1-6-20(12-15-10-8-7-9-14(15)2)13-17-19-11-16(21-17)18(3,4)5/h7-11H,6,12-13H2,1-5H3
InChIKeyBHNUCIUNQHSPES-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.30
Rot. Bonds5

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

N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]ethanamine (PubChem CID 52586784) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]ethanamine
PubChem CID52586784
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]ethanamine
SMILESCCN(Cc1ncc(C(C)(C)C)o1)Cc1ccccc1C
InChIInChI=1S/C18H26N2O/c1-6-20(12-15-10-8-7-9-14(15)2)13-17-19-11-16(21-17)18(3,4)5/h7-11H,6,12-13H2,1-5H3
InChIKeyBHNUCIUNQHSPES-UHFFFAOYSA-N
XLogP4.30
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(3-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 72111579
N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-2-methylbenzamide
CID 47055602
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]ethanamine
CID 52624943
N-[1-[(2-cyanophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 71872523
N-[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 71872534
5-Tert-butyl-2-[1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-1,3-oxazole
CID 71906438
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-phenylethyl)pyrrolidin-3-yl]acetamide
CID 71928343
N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 71928366
N-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 71928368
N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-phenylpropyl)pyrrolidin-3-amine
CID 71928404
2-[[3-[Methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzonitrile
CID 71928410
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylaniline
CID 72107248

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]ethanamine (CID 52586784) is N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]ethanamine is CCN(Cc1ncc(C(C)(C)C)o1)Cc1ccccc1C.
What is the InChIKey of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]ethanamine?
The InChIKey is BHNUCIUNQHSPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-6-20(12-15-10-8-7-9-14(15)2)13-17-19-11-16(21-17)18(3,4)5/h7-11H,6,12-13H2,1-5H3.
What are the key properties of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]ethanamine?
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]ethanamine has a molecular weight of 286.42 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 52586784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).