N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine

C18H26N2O2 — CID 119107422

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine
SMILESCc1noc(C)c1CNCc1cccc(COC(C)(C)C)c1
InChIInChI=1S/C18H26N2O2/c1-13-17(14(2)22-20-13)11-19-10-15-7-6-8-16(9-15)12-21-18(3,4)5/h6-9,19H,10-12H2,1-5H3
InChIKeyPAIUBGWPWSZWGT-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.90
Rot. Bonds6

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine (PubChem CID 119107422) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine
PubChem CID119107422
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine
SMILESCc1noc(C)c1CNCc1cccc(COC(C)(C)C)c1
InChIInChI=1S/C18H26N2O2/c1-13-17(14(2)22-20-13)11-19-10-15-7-6-8-16(9-15)12-21-18(3,4)5/h6-9,19H,10-12H2,1-5H3
InChIKeyPAIUBGWPWSZWGT-UHFFFAOYSA-N
XLogP3.90
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine with MolForge

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine
CID 112730010
N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-1-pyridin-4-ylmethanamine
CID 119107430
1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 119107400
1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine
CID 119107461
1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 119107424
1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 119113222
1-cyclopropyl-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]methanamine
CID 119110641
1-(3,5-difluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine
CID 115579772
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103437907
N-[(2-methoxyphenyl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine
CID 119107449
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine
CID 78983738
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-indol-6-yl)methanamine
CID 102911385

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine (CID 119107422) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine is Cc1noc(C)c1CNCc1cccc(COC(C)(C)C)c1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine?
The InChIKey is PAIUBGWPWSZWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-17(14(2)22-20-13)11-19-10-15-7-6-8-16(9-15)12-21-18(3,4)5/h6-9,19H,10-12H2,1-5H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine has a molecular weight of 302.42 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine is sourced from PubChem (CID 119107422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).