4-(4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)butan-2-amine

C15H20N2O2 — CID 106414728

IUPAC4-(4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)butan-2-amine
SMILESCOc1ccc(CCC(C)NCc2ccno2)cc1
InChIInChI=1S/C15H20N2O2/c1-12(16-11-15-9-10-17-19-15)3-4-13-5-7-14(18-2)8-6-13/h5-10,12,16H,3-4,11H2,1-2H3
InChIKeyPQVMLDVSPVAMKV-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.79
Rot. Bonds7

About 4-(4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)butan-2-amine

4-(4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)butan-2-amine (PubChem CID 106414728) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)butan-2-amine
PubChem CID106414728
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-(4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)butan-2-amine
SMILESCOc1ccc(CCC(C)NCc2ccno2)cc1
InChIInChI=1S/C15H20N2O2/c1-12(16-11-15-9-10-17-19-15)3-4-13-5-7-14(18-2)8-6-13/h5-10,12,16H,3-4,11H2,1-2H3
InChIKeyPQVMLDVSPVAMKV-UHFFFAOYSA-N
XLogP2.79
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine
CID 61013750
4-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)butan-2-amine
CID 115732215
(2S)-N-[(3,4-dichlorophenyl)methyl]-4-(4-methoxyphenyl)butan-2-amine
CID 784034
4-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]butan-2-amine
CID 63002181
4-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]butan-2-amine
CID 60913277
4-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine
CID 103786270
5-[[[(2R)-4-(4-methoxyphenyl)butan-2-yl]amino]methyl]-1H-1,2,4-triazol-3-amine
CID 125434909
(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911
(2S)-4-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 30982638
N-[4-(4-methoxyphenyl)butan-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 43754790
4-(4-methoxyphenyl)-N-(2-methylsulfinylpropyl)butan-2-amine
CID 115896171
N-(cyclopentylmethyl)-4-(4-methoxyphenyl)butan-2-amine
CID 43775517

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)butan-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)butan-2-amine (CID 106414728) is 4-(4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)butan-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)butan-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)butan-2-amine is COc1ccc(CCC(C)NCc2ccno2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)butan-2-amine?
The InChIKey is PQVMLDVSPVAMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-12(16-11-15-9-10-17-19-15)3-4-13-5-7-14(18-2)8-6-13/h5-10,12,16H,3-4,11H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)butan-2-amine?
4-(4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)butan-2-amine has a molecular weight of 260.34 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)butan-2-amine is sourced from PubChem (CID 106414728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).