1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-3-(2-methylpropoxy)propan-2-ol

C14H26N2O3 — CID 79242225

IUPAC1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-3-(2-methylpropoxy)propan-2-ol
SMILESCc1noc(C)c1C(C)NCC(O)COCC(C)C
InChIInChI=1S/C14H26N2O3/c1-9(2)7-18-8-13(17)6-15-10(3)14-11(4)16-19-12(14)5/h9-10,13,15,17H,6-8H2,1-5H3
InChIKeyGHUZEIKASHPSRV-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.98
Rot. Bonds8

About 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-3-(2-methylpropoxy)propan-2-ol

1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-3-(2-methylpropoxy)propan-2-ol (PubChem CID 79242225) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-3-(2-methylpropoxy)propan-2-ol.

Molecular Properties

Compound Name1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-3-(2-methylpropoxy)propan-2-ol
PubChem CID79242225
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-3-(2-methylpropoxy)propan-2-ol
SMILESCc1noc(C)c1C(C)NCC(O)COCC(C)C
InChIInChI=1S/C14H26N2O3/c1-9(2)7-18-8-13(17)6-15-10(3)14-11(4)16-19-12(14)5/h9-10,13,15,17H,6-8H2,1-5H3
InChIKeyGHUZEIKASHPSRV-UHFFFAOYSA-N
XLogP1.98
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 81355468
3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 79242219
6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]hexan-1-ol
CID 113428834
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbut-2-en-1-amine
CID 104577650
1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 81374323
1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 81348160
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N,N-dimethylacetamide
CID 79242240
1-(2-methylpropoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408465
ethyl 2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]prop-2-enoate
CID 103255501
1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 81379953
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-3-methylpentyl)butanamide
CID 109380177
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-methoxypropan-2-yl)thiourea
CID 113235705

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-3-(2-methylpropoxy)propan-2-ol?
The IUPAC name of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-3-(2-methylpropoxy)propan-2-ol (CID 79242225) is 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-3-(2-methylpropoxy)propan-2-ol.
What is the SMILES notation for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-3-(2-methylpropoxy)propan-2-ol?
The canonical SMILES for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-3-(2-methylpropoxy)propan-2-ol is Cc1noc(C)c1C(C)NCC(O)COCC(C)C.
What is the InChIKey of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-3-(2-methylpropoxy)propan-2-ol?
The InChIKey is GHUZEIKASHPSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-9(2)7-18-8-13(17)6-15-10(3)14-11(4)16-19-12(14)5/h9-10,13,15,17H,6-8H2,1-5H3.
What are the key properties of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-3-(2-methylpropoxy)propan-2-ol?
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-3-(2-methylpropoxy)propan-2-ol has a molecular weight of 270.37 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-3-(2-methylpropoxy)propan-2-ol is sourced from PubChem (CID 79242225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).