2-[1,2-oxazol-4-ylmethyl(propan-2-yl)amino]ethanol

C9H16N2O2 — CID 62020780

IUPAC2-[1,2-oxazol-4-ylmethyl(propan-2-yl)amino]ethanol
SMILESCC(C)N(CCO)Cc1cnoc1
InChIInChI=1S/C9H16N2O2/c1-8(2)11(3-4-12)6-9-5-10-13-7-9/h5,7-8,12H,3-4,6H2,1-2H3
InChIKeyLQTLVSPAMRZQQX-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.88
Rot. Bonds5

About 2-[1,2-oxazol-4-ylmethyl(propan-2-yl)amino]ethanol

2-[1,2-oxazol-4-ylmethyl(propan-2-yl)amino]ethanol (PubChem CID 62020780) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-[1,2-oxazol-4-ylmethyl(propan-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[1,2-oxazol-4-ylmethyl(propan-2-yl)amino]ethanol
PubChem CID62020780
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-[1,2-oxazol-4-ylmethyl(propan-2-yl)amino]ethanol
SMILESCC(C)N(CCO)Cc1cnoc1
InChIInChI=1S/C9H16N2O2/c1-8(2)11(3-4-12)6-9-5-10-13-7-9/h5,7-8,12H,3-4,6H2,1-2H3
InChIKeyLQTLVSPAMRZQQX-UHFFFAOYSA-N
XLogP0.88
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-hydrazinyl-3-pyridinyl)methyl-propan-2-ylamino]ethanol
CID 62246484
2-[propan-2-yl(quinolin-3-ylmethyl)amino]ethanol
CID 113345069
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-propan-2-ylamino]ethanol
CID 62021145
2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-propan-2-ylamino]ethanol
CID 60693391
2-[[5-(hydroxymethyl)furan-2-yl]methyl-propan-2-ylamino]ethanol
CID 115880076
2-[[2-(ethylamino)-4-pyridinyl]methyl-propan-2-ylamino]ethanol
CID 62465051
2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-propan-2-ylamino]ethanol
CID 80611576
2-[(3-amino-4-methoxyphenyl)methyl-propan-2-ylamino]ethanol
CID 54995973
2-[(6-amino-3-chloro-2-pyridinyl)methyl-propan-2-ylamino]ethanol
CID 62890496
2-[[5-(methoxymethyl)furan-2-yl]methyl-propan-2-ylamino]ethanol
CID 115880051
2-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]ethanol
CID 79261151
2-[(3-bromo-4-methoxyphenyl)methyl-propan-2-ylamino]ethanol
CID 60696343

Frequently Asked Questions

What is the IUPAC name of 2-[1,2-oxazol-4-ylmethyl(propan-2-yl)amino]ethanol?
The IUPAC name of 2-[1,2-oxazol-4-ylmethyl(propan-2-yl)amino]ethanol (CID 62020780) is 2-[1,2-oxazol-4-ylmethyl(propan-2-yl)amino]ethanol.
What is the SMILES notation for 2-[1,2-oxazol-4-ylmethyl(propan-2-yl)amino]ethanol?
The canonical SMILES for 2-[1,2-oxazol-4-ylmethyl(propan-2-yl)amino]ethanol is CC(C)N(CCO)Cc1cnoc1.
What is the InChIKey of 2-[1,2-oxazol-4-ylmethyl(propan-2-yl)amino]ethanol?
The InChIKey is LQTLVSPAMRZQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-8(2)11(3-4-12)6-9-5-10-13-7-9/h5,7-8,12H,3-4,6H2,1-2H3.
What are the key properties of 2-[1,2-oxazol-4-ylmethyl(propan-2-yl)amino]ethanol?
2-[1,2-oxazol-4-ylmethyl(propan-2-yl)amino]ethanol has a molecular weight of 184.24 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2-oxazol-4-ylmethyl(propan-2-yl)amino]ethanol is sourced from PubChem (CID 62020780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).