(2R)-1-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol

C14H24N2O4 — CID 124799203

IUPAC(2R)-1-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
SMILESCc1cc(CN(C)C[C@@H](O)COC[C@H]2CCCO2)no1
InChIInChI=1S/C14H24N2O4/c1-11-6-12(15-20-11)7-16(2)8-13(17)9-18-10-14-4-3-5-19-14/h6,13-14,17H,3-5,7-10H2,1-2H3/t13-,14-/m1/s1
InChIKeyNVVWOHLFDIIPGC-ZIAGYGMSSA-N
MW284.36 g/mol
LogP0.97
Rot. Bonds8

About (2R)-1-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol

(2R)-1-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol (PubChem CID 124799203) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2R)-1-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
PubChem CID124799203
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name(2R)-1-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
SMILESCc1cc(CN(C)C[C@@H](O)COC[C@H]2CCCO2)no1
InChIInChI=1S/C14H24N2O4/c1-11-6-12(15-20-11)7-16(2)8-13(17)9-18-10-14-4-3-5-19-14/h6,13-14,17H,3-5,7-10H2,1-2H3/t13-,14-/m1/s1
InChIKeyNVVWOHLFDIIPGC-ZIAGYGMSSA-N
XLogP0.97
TPSA67.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol with MolForge

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Related Compounds

(2S)-1-[methyl(1,3-thiazol-4-ylmethyl)amino]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol
CID 95044295
(2S)-1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 124737593
1-(diethylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 110877523
1-(oxolan-2-ylmethoxy)-3-(N,2,3-trimethylanilino)propan-2-ol
CID 110900484
1-[methyl(naphthalen-2-yl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 78827395
1-[cyclopentyl(ethyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 110892631
N-[4-[(2R)-2-hydroxy-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propoxy]phenyl]acetamide
CID 36970741
1-[(2-methyl-1,3-thiazol-4-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 61283235
(2R)-1-(1,3-benzodioxol-5-ylmethoxy)-3-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]propan-2-ol
CID 124818957
1-chloro-3-(oxan-2-ylmethoxy)propan-2-ol
CID 112560571
1-[1-(5-methylfuran-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 61040225
1-(2,6-difluoro-3-methylanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 82801882

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol?
The IUPAC name of (2R)-1-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol (CID 124799203) is (2R)-1-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol?
The canonical SMILES for (2R)-1-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol is Cc1cc(CN(C)C[C@@H](O)COC[C@H]2CCCO2)no1.
What is the InChIKey of (2R)-1-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol?
The InChIKey is NVVWOHLFDIIPGC-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-11-6-12(15-20-11)7-16(2)8-13(17)9-18-10-14-4-3-5-19-14/h6,13-14,17H,3-5,7-10H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of (2R)-1-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol?
(2R)-1-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol has a molecular weight of 284.36 g/mol, XLogP of 0.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol is sourced from PubChem (CID 124799203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).