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

C18H24N2O3 — CID 54846758

IUPACN-[[4-methyl-5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1noc(-c2ccc(OCC3CCCO3)cc2)c1C
InChIInChI=1S/C18H24N2O3/c1-3-19-11-17-13(2)18(23-20-17)14-6-8-15(9-7-14)22-12-16-5-4-10-21-16/h6-9,16,19H,3-5,10-12H2,1-2H3
InChIKeyGESJARMDTQJLDU-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.32
Rot. Bonds7

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

N-[[4-methyl-5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazol-3-yl]methyl]ethanamine (PubChem CID 54846758) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[[4-methyl-5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-methyl-5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazol-3-yl]methyl]ethanamine
PubChem CID54846758
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[[4-methyl-5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1noc(-c2ccc(OCC3CCCO3)cc2)c1C
InChIInChI=1S/C18H24N2O3/c1-3-19-11-17-13(2)18(23-20-17)14-6-8-15(9-7-14)22-12-16-5-4-10-21-16/h6-9,16,19H,3-5,10-12H2,1-2H3
InChIKeyGESJARMDTQJLDU-UHFFFAOYSA-N
XLogP3.32
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 54846599
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 43214097
N-[[6-methyl-3-(oxan-2-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79150975
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]butan-1-amine
CID 54797389
5-methyl-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]-1,2,4-oxadiazole
CID 95265259
N-methyl-4-(oxolan-2-ylmethoxy)aniline
CID 54803460
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
1-[4-(oxolan-2-ylmethoxy)phenyl]propan-1-one
CID 24702536
5-methyl-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 94025887
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
1-ethyl-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]cyclobutane-1-carboxamide
CID 95974545
1-ethyl-3-[2-(4-methylphenoxy)ethyl]-2-(oxolan-2-ylmethyl)guanidine
CID 111136459

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[4-methyl-5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazol-3-yl]methyl]ethanamine (CID 54846758) is N-[[4-methyl-5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-methyl-5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-methyl-5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazol-3-yl]methyl]ethanamine is CCNCc1noc(-c2ccc(OCC3CCCO3)cc2)c1C.
What is the InChIKey of N-[[4-methyl-5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The InChIKey is GESJARMDTQJLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-3-19-11-17-13(2)18(23-20-17)14-6-8-15(9-7-14)22-12-16-5-4-10-21-16/h6-9,16,19H,3-5,10-12H2,1-2H3.
What are the key properties of N-[[4-methyl-5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazol-3-yl]methyl]ethanamine?
N-[[4-methyl-5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazol-3-yl]methyl]ethanamine has a molecular weight of 316.40 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 54846758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).