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

C15H19BrN2O3 — CID 106372776

IUPAC1-(3-bromophenoxy)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propan-2-ol
SMILESCc1nc(CNCC(O)COc2cccc(Br)c2)oc1C
InChIInChI=1S/C15H19BrN2O3/c1-10-11(2)21-15(18-10)8-17-7-13(19)9-20-14-5-3-4-12(16)6-14/h3-6,13,17,19H,7-9H2,1-2H3
InChIKeyOVARHEJFKSXSNT-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.58
Rot. Bonds7

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

1-(3-bromophenoxy)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propan-2-ol (PubChem CID 106372776) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 1-(3-bromophenoxy)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(3-bromophenoxy)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propan-2-ol
PubChem CID106372776
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name1-(3-bromophenoxy)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propan-2-ol
SMILESCc1nc(CNCC(O)COc2cccc(Br)c2)oc1C
InChIInChI=1S/C15H19BrN2O3/c1-10-11(2)21-15(18-10)8-17-7-13(19)9-20-14-5-3-4-12(16)6-14/h3-6,13,17,19H,7-9H2,1-2H3
InChIKeyOVARHEJFKSXSNT-UHFFFAOYSA-N
XLogP2.58
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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1-(3-bromophenoxy)-3-(3-propan-2-yloxypropylamino)propan-2-ol
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1-(3-bromophenoxy)-3-(2-pyrrolidin-1-ylethylamino)propan-2-ol
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3-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
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1-(3-bromophenoxy)-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propan-2-ol
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1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-3-(3-methylphenoxy)propan-2-ol
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1-(3-bromophenoxy)-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol
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1-[2-(3-bromophenoxy)ethyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine
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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenoxy)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propan-2-ol?
The IUPAC name of 1-(3-bromophenoxy)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propan-2-ol (CID 106372776) is 1-(3-bromophenoxy)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(3-bromophenoxy)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-(3-bromophenoxy)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propan-2-ol is Cc1nc(CNCC(O)COc2cccc(Br)c2)oc1C.
What is the InChIKey of 1-(3-bromophenoxy)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propan-2-ol?
The InChIKey is OVARHEJFKSXSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-10-11(2)21-15(18-10)8-17-7-13(19)9-20-14-5-3-4-12(16)6-14/h3-6,13,17,19H,7-9H2,1-2H3.
What are the key properties of 1-(3-bromophenoxy)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propan-2-ol?
1-(3-bromophenoxy)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propan-2-ol has a molecular weight of 355.23 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenoxy)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propan-2-ol is sourced from PubChem (CID 106372776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).