3-[(3S)-2-methyl-3-(oxan-2-yloxy)butan-2-yl]-1,2-oxazol-5-amine

C13H22N2O3 — CID 59253241

IUPAC3-[(3S)-2-methyl-3-(oxan-2-yloxy)butan-2-yl]-1,2-oxazol-5-amine
SMILESC[C@H](OC1CCCCO1)C(C)(C)c1cc(N)on1
InChIInChI=1S/C13H22N2O3/c1-9(17-12-6-4-5-7-16-12)13(2,3)10-8-11(14)18-15-10/h8-9,12H,4-7,14H2,1-3H3/t9-,12?/m0/s1
InChIKeyKQVLNNAPWIVDCN-QHGLUPRGSA-N
MW254.33 g/mol
LogP2.47
Rot. Bonds4

About 3-[(3S)-2-methyl-3-(oxan-2-yloxy)butan-2-yl]-1,2-oxazol-5-amine

3-[(3S)-2-methyl-3-(oxan-2-yloxy)butan-2-yl]-1,2-oxazol-5-amine (PubChem CID 59253241) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[(3S)-2-methyl-3-(oxan-2-yloxy)butan-2-yl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[(3S)-2-methyl-3-(oxan-2-yloxy)butan-2-yl]-1,2-oxazol-5-amine
PubChem CID59253241
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-[(3S)-2-methyl-3-(oxan-2-yloxy)butan-2-yl]-1,2-oxazol-5-amine
SMILESC[C@H](OC1CCCCO1)C(C)(C)c1cc(N)on1
InChIInChI=1S/C13H22N2O3/c1-9(17-12-6-4-5-7-16-12)13(2,3)10-8-11(14)18-15-10/h8-9,12H,4-7,14H2,1-3H3/t9-,12?/m0/s1
InChIKeyKQVLNNAPWIVDCN-QHGLUPRGSA-N
XLogP2.47
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[3-[2-methyl-3-(oxan-2-yloxy)butan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide
CID 59253279
2-methyl-N-[3-[2-methyl-3-[(2S)-oxan-2-yl]oxybutan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide
CID 67309167
2-[5-[1-(oxan-2-yloxy)ethyl]-1,2-oxazol-3-yl]propan-2-ol
CID 10355007
3-[2-(oxan-4-yl)propan-2-yl]-1,2-oxazol-5-amine
CID 58297280
2-butan-2-yloxyoxane
CID 559028
2-[1-(oxan-2-yloxy)ethyl]-1H-imidazole
CID 166757522
2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]propanamide
CID 71244440
(3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine
CID 98010101
5-iodo-3-[(1R)-1-[2-[(1S)-1-(oxan-2-yloxy)ethyl]imidazol-1-yl]propyl]-1,2-oxazole
CID 163591512
(2S)-3-(5-bromo-2-pyridinyl)-2-(oxan-2-yloxy)pentan-3-ol
CID 69166040
5-iodo-3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole
CID 166757161
2-[(2S)-but-3-en-2-yl]oxyoxane
CID 11019115

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-2-methyl-3-(oxan-2-yloxy)butan-2-yl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[(3S)-2-methyl-3-(oxan-2-yloxy)butan-2-yl]-1,2-oxazol-5-amine (CID 59253241) is 3-[(3S)-2-methyl-3-(oxan-2-yloxy)butan-2-yl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[(3S)-2-methyl-3-(oxan-2-yloxy)butan-2-yl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[(3S)-2-methyl-3-(oxan-2-yloxy)butan-2-yl]-1,2-oxazol-5-amine is C[C@H](OC1CCCCO1)C(C)(C)c1cc(N)on1.
What is the InChIKey of 3-[(3S)-2-methyl-3-(oxan-2-yloxy)butan-2-yl]-1,2-oxazol-5-amine?
The InChIKey is KQVLNNAPWIVDCN-QHGLUPRGSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9(17-12-6-4-5-7-16-12)13(2,3)10-8-11(14)18-15-10/h8-9,12H,4-7,14H2,1-3H3/t9-,12?/m0/s1.
What are the key properties of 3-[(3S)-2-methyl-3-(oxan-2-yloxy)butan-2-yl]-1,2-oxazol-5-amine?
3-[(3S)-2-methyl-3-(oxan-2-yloxy)butan-2-yl]-1,2-oxazol-5-amine has a molecular weight of 254.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-2-methyl-3-(oxan-2-yloxy)butan-2-yl]-1,2-oxazol-5-amine is sourced from PubChem (CID 59253241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).