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

C16H20N2O3 — CID 103558587

IUPAC5-[(1-methoxycyclobutyl)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1ccc(-c2c(N)noc2CC2(OC)CCC2)cc1
InChIInChI=1S/C16H20N2O3/c1-19-12-6-4-11(5-7-12)14-13(21-18-15(14)17)10-16(20-2)8-3-9-16/h4-7H,3,8-10H2,1-2H3,(H2,17,18)
InChIKeyCTOWODNVKGBHLR-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.04
Rot. Bonds5

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

5-[(1-methoxycyclobutyl)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-3-amine (PubChem CID 103558587) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-[(1-methoxycyclobutyl)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[(1-methoxycyclobutyl)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-3-amine
PubChem CID103558587
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name5-[(1-methoxycyclobutyl)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1ccc(-c2c(N)noc2CC2(OC)CCC2)cc1
InChIInChI=1S/C16H20N2O3/c1-19-12-6-4-11(5-7-12)14-13(21-18-15(14)17)10-16(20-2)8-3-9-16/h4-7H,3,8-10H2,1-2H3,(H2,17,18)
InChIKeyCTOWODNVKGBHLR-UHFFFAOYSA-N
XLogP3.04
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1-methoxycyclobutyl)methyl]-4-methyl-1,2-oxazol-3-amine
CID 103558593
5-[(1-methoxycyclobutyl)methyl]-4-propyl-1,2-oxazol-3-amine
CID 103558607
4-(4-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine
CID 103556789
4-(4-methoxyphenyl)-5-(2-methyl-4-pyridinyl)-1,2-oxazol-3-amine
CID 106754464
4-(3,4-dichlorophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine
CID 103556824
4-(4-methoxyphenyl)-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine
CID 66198552
5-(2-chlorophenyl)-4-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 66198750
4-(4-ethoxyphenyl)-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine
CID 66200647
4-(2-fluorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 66200762
4-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 66204576
4-[(1-methoxycyclobutyl)methyl]-1,3-thiazol-2-amine
CID 103558694
3-[(dimethylamino)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 20983312

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methoxycyclobutyl)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-[(1-methoxycyclobutyl)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-3-amine (CID 103558587) is 5-[(1-methoxycyclobutyl)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[(1-methoxycyclobutyl)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-[(1-methoxycyclobutyl)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-3-amine is COc1ccc(-c2c(N)noc2CC2(OC)CCC2)cc1.
What is the InChIKey of 5-[(1-methoxycyclobutyl)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-3-amine?
The InChIKey is CTOWODNVKGBHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-19-12-6-4-11(5-7-12)14-13(21-18-15(14)17)10-16(20-2)8-3-9-16/h4-7H,3,8-10H2,1-2H3,(H2,17,18).
What are the key properties of 5-[(1-methoxycyclobutyl)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-3-amine?
5-[(1-methoxycyclobutyl)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-3-amine has a molecular weight of 288.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methoxycyclobutyl)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 103558587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).