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

C17H24N4O2 — CID 20983318

IUPAC3-[(4-ethylpiperazin-1-yl)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCCN1CCN(Cc2noc(N)c2-c2ccc(OC)cc2)CC1
InChIInChI=1S/C17H24N4O2/c1-3-20-8-10-21(11-9-20)12-15-16(17(18)23-19-15)13-4-6-14(22-2)7-5-13/h4-7H,3,8-12,18H2,1-2H3
InChIKeyILOFCDYABWKFSA-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.07
Rot. Bonds5

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

3-[(4-ethylpiperazin-1-yl)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 20983318) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 3-[(4-ethylpiperazin-1-yl)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[(4-ethylpiperazin-1-yl)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
PubChem CID20983318
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name3-[(4-ethylpiperazin-1-yl)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCCN1CCN(Cc2noc(N)c2-c2ccc(OC)cc2)CC1
InChIInChI=1S/C17H24N4O2/c1-3-20-8-10-21(11-9-20)12-15-16(17(18)23-19-15)13-4-6-14(22-2)7-5-13/h4-7H,3,8-12,18H2,1-2H3
InChIKeyILOFCDYABWKFSA-UHFFFAOYSA-N
XLogP2.07
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(dimethylamino)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 20983312
3-(2-ethoxyethyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 43335930
1-ethyl-4-[[3-methoxy-6-(4-methoxyphenyl)-2-pyridinyl]methyl]piperazine
CID 141165774
1-[(4-ethylpiperazin-1-yl)methyl]-3-(4-methoxyphenyl)isoquinoline;methane
CID 162101226
3-(2,2-dimethylcyclopropyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 107001939
1-ethyl-4-[[5-(methoxymethyl)-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperazine
CID 131909014
(4-ethylpiperazin-1-yl)-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone
CID 38148901
4-(4-methoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
CID 107972754
4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine
CID 46227182
3-(5-chlorofuran-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 106687953
3-(5-bromofuran-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 43335944
5-(4-methoxyphenyl)-2-[[4-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-1,4-diazepan-1-yl]methyl]-1,3-oxazole
CID 166197592

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylpiperazin-1-yl)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-[(4-ethylpiperazin-1-yl)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine (CID 20983318) is 3-[(4-ethylpiperazin-1-yl)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[(4-ethylpiperazin-1-yl)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-[(4-ethylpiperazin-1-yl)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine is CCN1CCN(Cc2noc(N)c2-c2ccc(OC)cc2)CC1.
What is the InChIKey of 3-[(4-ethylpiperazin-1-yl)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is ILOFCDYABWKFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-3-20-8-10-21(11-9-20)12-15-16(17(18)23-19-15)13-4-6-14(22-2)7-5-13/h4-7H,3,8-12,18H2,1-2H3.
What are the key properties of 3-[(4-ethylpiperazin-1-yl)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine?
3-[(4-ethylpiperazin-1-yl)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 316.41 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylpiperazin-1-yl)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 20983318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).