1-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]methanamine

C10H17N3O2 — CID 22894708

IUPAC1-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]methanamine
SMILESCC1COC(CNCC2=NC(C)CO2)=N1
InChIInChI=1S/C10H17N3O2/c1-7-5-14-9(12-7)3-11-4-10-13-8(2)6-15-10/h7-8,11H,3-6H2,1-2H3
InChIKeyWESJDFNFLPUZPL-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.21
Rot. Bonds4

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

1-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 22894708) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID22894708
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]methanamine
SMILESCC1COC(CNCC2=NC(C)CO2)=N1
InChIInChI=1S/C10H17N3O2/c1-7-5-14-9(12-7)3-11-4-10-13-8(2)6-15-10/h7-8,11H,3-6H2,1-2H3
InChIKeyWESJDFNFLPUZPL-UHFFFAOYSA-N
XLogP0.21
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,2-N-bis[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]cyclohexane-1,2-diamine
CID 20669030
2-(chloromethyl)-4-methyl-4,5-dihydro-1,3-oxazole
CID 55298503
(4S)-4-methyl-2-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methoxymethyl]-4,5-dihydro-1,3-oxazole
CID 59919107
2-heptadecyl-4-methyl-4,5-dihydro-1,3-oxazole;4-methyl-2-pentadecyl-4,5-dihydro-1,3-oxazole
CID 70405269
1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine
CID 59919098
tert-butyl N-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]carbamate
CID 174909045
(4R)-4-methyl-2-[[2,4,6-trimethyl-3-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-5-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole
CID 11155717
4-methyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 20730304
2-methyl-2-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]amino]propane-1-thiol
CID 138502967
2-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]amino]propane-2-thiol
CID 154936730
1-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine;1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine
CID 160545550
(4R)-4-methyl-2-[2,4,5-tris[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 102128598

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]methanamine (CID 22894708) is 1-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]methanamine is CC1COC(CNCC2=NC(C)CO2)=N1.
What is the InChIKey of 1-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is WESJDFNFLPUZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7-5-14-9(12-7)3-11-4-10-13-8(2)6-15-10/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 1-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]methanamine?
1-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 211.26 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 22894708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).