1-[3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]butan-2-amine

C16H21BrN2O2 — CID 63052191

IUPAC1-[3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OCc2c(C)noc2C)c(Br)c1
InChIInChI=1S/C16H21BrN2O2/c1-4-13(18)7-12-5-6-16(15(17)8-12)20-9-14-10(2)19-21-11(14)3/h5-6,8,13H,4,7,9,18H2,1-3H3
InChIKeyOWCKGWQWMWTZAP-UHFFFAOYSA-N
MW353.26 g/mol
LogP3.91
Rot. Bonds6

About 1-[3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]butan-2-amine

1-[3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]butan-2-amine (PubChem CID 63052191) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is 1-[3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]butan-2-amine
PubChem CID63052191
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC Name1-[3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OCc2c(C)noc2C)c(Br)c1
InChIInChI=1S/C16H21BrN2O2/c1-4-13(18)7-12-5-6-16(15(17)8-12)20-9-14-10(2)19-21-11(14)3/h5-6,8,13H,4,7,9,18H2,1-3H3
InChIKeyOWCKGWQWMWTZAP-UHFFFAOYSA-N
XLogP3.91
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 63044984
1-[3-bromo-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine
CID 63050827
1-[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]butan-2-amine
CID 63421771
1-[3-bromo-4-[(5-ethylthiophen-2-yl)methoxy]phenyl]butan-2-amine
CID 63422250
1-[3-bromo-4-[(4-bromothiophen-2-yl)methoxy]phenyl]butan-2-amine
CID 63422163
1-[3-bromo-4-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine
CID 55146768
1-[3-bromo-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]butan-2-amine
CID 63050993
3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzaldehyde
CID 55025741
1-[3-bromo-4-[(5-chlorothiophen-2-yl)methoxy]phenyl]butan-2-amine
CID 63421902
methyl 2-[4-(2-aminobutyl)-2-bromophenoxy]acetate
CID 63052363
(1R)-1-[4-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanamine
CID 102946793
1-[3-bromo-4-(2-pyridin-4-ylethoxy)phenyl]butan-2-amine
CID 63051166

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]butan-2-amine?
The IUPAC name of 1-[3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]butan-2-amine (CID 63052191) is 1-[3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]butan-2-amine?
The canonical SMILES for 1-[3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]butan-2-amine is CCC(N)Cc1ccc(OCc2c(C)noc2C)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]butan-2-amine?
The InChIKey is OWCKGWQWMWTZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c1-4-13(18)7-12-5-6-16(15(17)8-12)20-9-14-10(2)19-21-11(14)3/h5-6,8,13H,4,7,9,18H2,1-3H3.
What are the key properties of 1-[3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]butan-2-amine?
1-[3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]butan-2-amine has a molecular weight of 353.26 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]butan-2-amine is sourced from PubChem (CID 63052191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).