(4S)-4-methyl-2-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methoxymethyl]-4,5-dihydro-1,3-oxazole

C10H16N2O3 — CID 59919107

IUPAC(4S)-4-methyl-2-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methoxymethyl]-4,5-dihydro-1,3-oxazole
SMILESC[C@@H]1COC(COCC2=N[C@@H](C)CO2)=N1
InChIInChI=1S/C10H16N2O3/c1-7-3-14-9(11-7)5-13-6-10-12-8(2)4-15-10/h7-8H,3-6H2,1-2H3/t7-,8+
InChIKeyJBBIFQDASMPKEA-OCAPTIKFSA-N
MW212.25 g/mol
LogP0.64
Rot. Bonds4

About (4S)-4-methyl-2-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methoxymethyl]-4,5-dihydro-1,3-oxazole

(4S)-4-methyl-2-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methoxymethyl]-4,5-dihydro-1,3-oxazole (PubChem CID 59919107) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is (4S)-4-methyl-2-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methoxymethyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-methyl-2-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methoxymethyl]-4,5-dihydro-1,3-oxazole
PubChem CID59919107
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name(4S)-4-methyl-2-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methoxymethyl]-4,5-dihydro-1,3-oxazole
SMILESC[C@@H]1COC(COCC2=N[C@@H](C)CO2)=N1
InChIInChI=1S/C10H16N2O3/c1-7-3-14-9(11-7)5-13-6-10-12-8(2)4-15-10/h7-8H,3-6H2,1-2H3/t7-,8+
InChIKeyJBBIFQDASMPKEA-OCAPTIKFSA-N
XLogP0.64
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(chloromethyl)-4-methyl-4,5-dihydro-1,3-oxazole
CID 55298503
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
2-heptadecyl-4-methyl-4,5-dihydro-1,3-oxazole;4-methyl-2-pentadecyl-4,5-dihydro-1,3-oxazole
CID 70405269
2-(ethoxymethyl)-4-methoxy-4,5-dihydro-1,3-oxazole
CID 154393650
1-N,2-N-bis[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]cyclohexane-1,2-diamine
CID 20669030
(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
tert-butyl N-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]carbamate
CID 174909045
4-methyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 20730304
(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
N-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]aniline
CID 123274666
(4S)-2-(1-iodoethyl)-4-methyl-4,5-dihydro-1,3-oxazole
CID 89231723
2-methyl-2-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]amino]propane-1-thiol
CID 138502967

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-2-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methoxymethyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-methyl-2-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methoxymethyl]-4,5-dihydro-1,3-oxazole (CID 59919107) is (4S)-4-methyl-2-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methoxymethyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-methyl-2-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methoxymethyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-methyl-2-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methoxymethyl]-4,5-dihydro-1,3-oxazole is C[C@@H]1COC(COCC2=N[C@@H](C)CO2)=N1.
What is the InChIKey of (4S)-4-methyl-2-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methoxymethyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is JBBIFQDASMPKEA-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-7-3-14-9(11-7)5-13-6-10-12-8(2)4-15-10/h7-8H,3-6H2,1-2H3/t7-,8+.
What are the key properties of (4S)-4-methyl-2-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methoxymethyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-methyl-2-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methoxymethyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 212.25 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-2-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methoxymethyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 59919107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).