4-(2-bromophenyl)-3-[(1-methoxycyclobutyl)methyl]-1,2-oxazol-5-amine

C15H17BrN2O2 — CID 103557004

IUPAC4-(2-bromophenyl)-3-[(1-methoxycyclobutyl)methyl]-1,2-oxazol-5-amine
SMILESCOC1(Cc2noc(N)c2-c2ccccc2Br)CCC1
InChIInChI=1S/C15H17BrN2O2/c1-19-15(7-4-8-15)9-12-13(14(17)20-18-12)10-5-2-3-6-11(10)16/h2-3,5-6H,4,7-9,17H2,1H3
InChIKeyOUPROALAPPANSK-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.80
Rot. Bonds4

About 4-(2-bromophenyl)-3-[(1-methoxycyclobutyl)methyl]-1,2-oxazol-5-amine

4-(2-bromophenyl)-3-[(1-methoxycyclobutyl)methyl]-1,2-oxazol-5-amine (PubChem CID 103557004) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 4-(2-bromophenyl)-3-[(1-methoxycyclobutyl)methyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-bromophenyl)-3-[(1-methoxycyclobutyl)methyl]-1,2-oxazol-5-amine
PubChem CID103557004
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name4-(2-bromophenyl)-3-[(1-methoxycyclobutyl)methyl]-1,2-oxazol-5-amine
SMILESCOC1(Cc2noc(N)c2-c2ccccc2Br)CCC1
InChIInChI=1S/C15H17BrN2O2/c1-19-15(7-4-8-15)9-12-13(14(17)20-18-12)10-5-2-3-6-11(10)16/h2-3,5-6H,4,7-9,17H2,1H3
InChIKeyOUPROALAPPANSK-UHFFFAOYSA-N
XLogP3.80
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine
CID 103556830
4-(2-bromophenyl)-3-(cycloheptylmethyl)-1,2-oxazol-5-amine
CID 114458197
4-(2-bromophenyl)-3-(3-methylbutyl)-1,2-oxazol-5-amine
CID 62830518
4-(2-bromophenyl)-3-(2-methylbutyl)-1,2-oxazol-5-amine
CID 114875139
3,4-bis(2-bromophenyl)-1,2-oxazol-5-amine
CID 62830001
5-[(1-methoxycyclobutyl)methyl]-4-methyl-1,2-oxazol-3-amine
CID 103558593
4-(2-methoxyphenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine
CID 43158239
4-(2-bromophenyl)-3-(4-ethylphenyl)-1,2-oxazol-5-amine
CID 62829297
5-[(1-methoxycyclobutyl)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 103558587
3-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-1,2-oxazol-5-amine
CID 43158243
3-(2-bromophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335720
3-(3-bromo-2-fluorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine
CID 107955344

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-3-[(1-methoxycyclobutyl)methyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-bromophenyl)-3-[(1-methoxycyclobutyl)methyl]-1,2-oxazol-5-amine (CID 103557004) is 4-(2-bromophenyl)-3-[(1-methoxycyclobutyl)methyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-bromophenyl)-3-[(1-methoxycyclobutyl)methyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-bromophenyl)-3-[(1-methoxycyclobutyl)methyl]-1,2-oxazol-5-amine is COC1(Cc2noc(N)c2-c2ccccc2Br)CCC1.
What is the InChIKey of 4-(2-bromophenyl)-3-[(1-methoxycyclobutyl)methyl]-1,2-oxazol-5-amine?
The InChIKey is OUPROALAPPANSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-19-15(7-4-8-15)9-12-13(14(17)20-18-12)10-5-2-3-6-11(10)16/h2-3,5-6H,4,7-9,17H2,1H3.
What are the key properties of 4-(2-bromophenyl)-3-[(1-methoxycyclobutyl)methyl]-1,2-oxazol-5-amine?
4-(2-bromophenyl)-3-[(1-methoxycyclobutyl)methyl]-1,2-oxazol-5-amine has a molecular weight of 337.22 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-3-[(1-methoxycyclobutyl)methyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 103557004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).