1-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol

C16H22N2O3 — CID 106370990

IUPAC1-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol
SMILESCCc1cnc(CNCC(O)COc2ccccc2C)o1
InChIInChI=1S/C16H22N2O3/c1-3-14-9-18-16(21-14)10-17-8-13(19)11-20-15-7-5-4-6-12(15)2/h4-7,9,13,17,19H,3,8,10-11H2,1-2H3
InChIKeyRSNVSXPLBVTETG-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.07
Rot. Bonds8

About 1-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol

1-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol (PubChem CID 106370990) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol
PubChem CID106370990
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol
SMILESCCc1cnc(CNCC(O)COc2ccccc2C)o1
InChIInChI=1S/C16H22N2O3/c1-3-14-9-18-16(21-14)10-17-8-13(19)11-20-15-7-5-4-6-12(15)2/h4-7,9,13,17,19H,3,8,10-11H2,1-2H3
InChIKeyRSNVSXPLBVTETG-UHFFFAOYSA-N
XLogP2.07
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenoxy)-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-2-ol
CID 106372231
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol
CID 78974915
1-(2-methylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60634071
1-(2-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632285
(2S)-1-[[(2S)-2-hydroxypropyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 7830763
1-[(4-fluorophenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol
CID 60632137
1-(2-methylphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61042993
1-(2-methylphenoxy)-3-(octylamino)propan-2-ol
CID 12548704
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-difluoroethanamine
CID 106371339
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 103275226
1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60633605
1-(3-aminopropylamino)-3-(2-methylphenoxy)propan-2-ol
CID 62273853

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol (CID 106370990) is 1-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol is CCc1cnc(CNCC(O)COc2ccccc2C)o1.
What is the InChIKey of 1-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is RSNVSXPLBVTETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-14-9-18-16(21-14)10-17-8-13(19)11-20-15-7-5-4-6-12(15)2/h4-7,9,13,17,19H,3,8,10-11H2,1-2H3.
What are the key properties of 1-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol?
1-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 290.36 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 106370990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).