4-(3-methoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine

C15H18N2O3 — CID 66200693

IUPAC4-(3-methoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine
SMILESCOc1cccc(-c2c(N)noc2C2CCCOC2)c1
InChIInChI=1S/C15H18N2O3/c1-18-12-6-2-4-10(8-12)13-14(20-17-15(13)16)11-5-3-7-19-9-11/h2,4,6,8,11H,3,5,7,9H2,1H3,(H2,16,17)
InChIKeyLFCMDXHMTPHRJV-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.83
Rot. Bonds3

About 4-(3-methoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine

4-(3-methoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine (PubChem CID 66200693) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine
PubChem CID66200693
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-(3-methoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine
SMILESCOc1cccc(-c2c(N)noc2C2CCCOC2)c1
InChIInChI=1S/C15H18N2O3/c1-18-12-6-2-4-10(8-12)13-14(20-17-15(13)16)11-5-3-7-19-9-11/h2,4,6,8,11H,3,5,7,9H2,1H3,(H2,16,17)
InChIKeyLFCMDXHMTPHRJV-UHFFFAOYSA-N
XLogP2.83
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-bicyclo[2.2.1]heptanyl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine
CID 66200884
4-(4-ethoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine
CID 66199845
4-(2,6-dichlorophenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine
CID 66206231
5-cyclobutyl-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66197889
4-(2-chloro-6-fluorophenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine
CID 66200709
5-cycloheptyl-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66199569
5-(oxan-4-yl)-4-phenyl-1,2-oxazol-3-amine
CID 66200107
4-methoxy-2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 115411862
5-(1,1-difluoroethyl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine
CID 114249586
4-(3-methoxyphenyl)-5-pentan-2-yl-1,2-oxazol-3-amine
CID 66200696
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine
CID 122564765
3-(2-cyclopentylethyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 61263124

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(3-methoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine (CID 66200693) is 4-(3-methoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3-methoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3-methoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine is COc1cccc(-c2c(N)noc2C2CCCOC2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine?
The InChIKey is LFCMDXHMTPHRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-18-12-6-2-4-10(8-12)13-14(20-17-15(13)16)11-5-3-7-19-9-11/h2,4,6,8,11H,3,5,7,9H2,1H3,(H2,16,17).
What are the key properties of 4-(3-methoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine?
4-(3-methoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine has a molecular weight of 274.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66200693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).