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

C11H20N2O2 — CID 106130930

IUPAC5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pentan-2-ol
SMILESCc1nc(CNCCCC(C)O)oc1C
InChIInChI=1S/C11H20N2O2/c1-8(14)5-4-6-12-7-11-13-9(2)10(3)15-11/h8,12,14H,4-7H2,1-3H3
InChIKeyBXWBDACJZKUWLL-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.54
Rot. Bonds6

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

5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pentan-2-ol (PubChem CID 106130930) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pentan-2-ol
PubChem CID106130930
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pentan-2-ol
SMILESCc1nc(CNCCCC(C)O)oc1C
InChIInChI=1S/C11H20N2O2/c1-8(14)5-4-6-12-7-11-13-9(2)10(3)15-11/h8,12,14H,4-7H2,1-3H3
InChIKeyBXWBDACJZKUWLL-UHFFFAOYSA-N
XLogP1.54
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylbutan-1-amine
CID 60972577
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]butanamide
CID 60972938
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 63964251
N-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propyl]methanesulfonamide
CID 106336432
5-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pentan-2-ol
CID 106131592
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115518471
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,5,5-trifluoropentan-1-amine
CID 113327418
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hydroxylamine
CID 82594349
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 106372748
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-ethoxypropan-2-ol
CID 106372686
5-(4-hydroxypentylamino)pentan-2-ol
CID 141381726
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]acetonitrile
CID 106372653

Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pentan-2-ol?
The IUPAC name of 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pentan-2-ol (CID 106130930) is 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pentan-2-ol.
What is the SMILES notation for 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pentan-2-ol?
The canonical SMILES for 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pentan-2-ol is Cc1nc(CNCCCC(C)O)oc1C.
What is the InChIKey of 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pentan-2-ol?
The InChIKey is BXWBDACJZKUWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8(14)5-4-6-12-7-11-13-9(2)10(3)15-11/h8,12,14H,4-7H2,1-3H3.
What are the key properties of 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pentan-2-ol?
5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pentan-2-ol has a molecular weight of 212.29 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pentan-2-ol is sourced from PubChem (CID 106130930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).