(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]butan-1-ol

C10H18N2O2 — CID 28781690

IUPAC(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1c(C)noc1C
InChIInChI=1S/C10H18N2O2/c1-4-9(6-13)11-5-10-7(2)12-14-8(10)3/h9,11,13H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyYYCBFYUDVKWOCL-SECBINFHSA-N
MW198.27 g/mol
LogP1.15
Rot. Bonds5

About (2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]butan-1-ol

(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]butan-1-ol (PubChem CID 28781690) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]butan-1-ol
PubChem CID28781690
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1c(C)noc1C
InChIInChI=1S/C10H18N2O2/c1-4-9(6-13)11-5-10-7(2)12-14-8(10)3/h9,11,13H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyYYCBFYUDVKWOCL-SECBINFHSA-N
XLogP1.15
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-phenylpropan-1-ol
CID 102610247
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-phenylpropan-1-ol
CID 63260892
(2S,3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylpentan-2-amine
CID 97054312
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 28780717
ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]butanoate
CID 79242558
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethanol
CID 28833064
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-pentan-3-ylacetamide
CID 79241622
(2S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propane-1,2-diol
CID 79241777
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,N-dimethylpropanamide
CID 43574032
(2S)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide
CID 79236085
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methylheptan-2-amine
CID 43183570
2-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide
CID 79236983

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]butan-1-ol?
The IUPAC name of (2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]butan-1-ol (CID 28781690) is (2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]butan-1-ol is CC[C@H](CO)NCc1c(C)noc1C.
What is the InChIKey of (2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]butan-1-ol?
The InChIKey is YYCBFYUDVKWOCL-SECBINFHSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-9(6-13)11-5-10-7(2)12-14-8(10)3/h9,11,13H,4-6H2,1-3H3/t9-/m1/s1.
What are the key properties of (2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]butan-1-ol?
(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]butan-1-ol has a molecular weight of 198.27 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]butan-1-ol is sourced from PubChem (CID 28781690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).