4-methoxy-3-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methylamino]butan-1-ol

C16H22N2O3 — CID 111860090

IUPAC4-methoxy-3-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methylamino]butan-1-ol
SMILESCOCC(C)(CCO)NCc1cc(-c2ccccc2)no1
InChIInChI=1S/C16H22N2O3/c1-16(8-9-19,12-20-2)17-11-14-10-15(18-21-14)13-6-4-3-5-7-13/h3-7,10,17,19H,8-9,11-12H2,1-2H3
InChIKeyBZLMSMMKIGWPFT-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.22
Rot. Bonds8

About 4-methoxy-3-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methylamino]butan-1-ol

4-methoxy-3-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methylamino]butan-1-ol (PubChem CID 111860090) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-methoxy-3-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methylamino]butan-1-ol
PubChem CID111860090
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-methoxy-3-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methylamino]butan-1-ol
SMILESCOCC(C)(CCO)NCc1cc(-c2ccccc2)no1
InChIInChI=1S/C16H22N2O3/c1-16(8-9-19,12-20-2)17-11-14-10-15(18-21-14)13-6-4-3-5-7-13/h3-7,10,17,19H,8-9,11-12H2,1-2H3
InChIKeyBZLMSMMKIGWPFT-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methylamino]butan-1-ol?
The IUPAC name of 4-methoxy-3-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methylamino]butan-1-ol (CID 111860090) is 4-methoxy-3-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methylamino]butan-1-ol.
What is the SMILES notation for 4-methoxy-3-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methylamino]butan-1-ol?
The canonical SMILES for 4-methoxy-3-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methylamino]butan-1-ol is COCC(C)(CCO)NCc1cc(-c2ccccc2)no1.
What is the InChIKey of 4-methoxy-3-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methylamino]butan-1-ol?
The InChIKey is BZLMSMMKIGWPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(8-9-19,12-20-2)17-11-14-10-15(18-21-14)13-6-4-3-5-7-13/h3-7,10,17,19H,8-9,11-12H2,1-2H3.
What are the key properties of 4-methoxy-3-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methylamino]butan-1-ol?
4-methoxy-3-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methylamino]butan-1-ol has a molecular weight of 290.36 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methylamino]butan-1-ol is sourced from PubChem (CID 111860090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).