5-N,2-bis(4-ethoxyphenyl)-1,3-oxazole-4,5-diamine

C19H21N3O3 — CID 70846683

IUPAC5-N,2-bis(4-ethoxyphenyl)-1,3-oxazole-4,5-diamine
SMILESCCOc1ccc(Nc2oc(-c3ccc(OCC)cc3)nc2N)cc1
InChIInChI=1S/C19H21N3O3/c1-3-23-15-9-5-13(6-10-15)18-22-17(20)19(25-18)21-14-7-11-16(12-8-14)24-4-2/h5-12,21H,3-4,20H2,1-2H3
InChIKeyLLLJYBWFLXZLPR-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.46
Rot. Bonds7

About 5-N,2-bis(4-ethoxyphenyl)-1,3-oxazole-4,5-diamine

5-N,2-bis(4-ethoxyphenyl)-1,3-oxazole-4,5-diamine (PubChem CID 70846683) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-N,2-bis(4-ethoxyphenyl)-1,3-oxazole-4,5-diamine.

Molecular Properties

Compound Name5-N,2-bis(4-ethoxyphenyl)-1,3-oxazole-4,5-diamine
PubChem CID70846683
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name5-N,2-bis(4-ethoxyphenyl)-1,3-oxazole-4,5-diamine
SMILESCCOc1ccc(Nc2oc(-c3ccc(OCC)cc3)nc2N)cc1
InChIInChI=1S/C19H21N3O3/c1-3-23-15-9-5-13(6-10-15)18-22-17(20)19(25-18)21-14-7-11-16(12-8-14)24-4-2/h5-12,21H,3-4,20H2,1-2H3
InChIKeyLLLJYBWFLXZLPR-UHFFFAOYSA-N
XLogP4.46
TPSA82.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-ethoxyanilino)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 892137
5-(4-ethoxyanilino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 18822730
4-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine
CID 18825777
2-(4-ethoxyphenyl)-4-(4-methylphenyl)sulfonyl-N-phenyl-1,3-oxazol-5-amine
CID 18826150
2-(4-bromophenyl)-N-(4-ethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-amine
CID 18825942
2-(3,4-dimethoxyphenyl)-5-(4-ethoxyanilino)-1,3-oxazole-4-carbonitrile
CID 18822660
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
4-N,6-N-bis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine
CID 15556985
4-(4-aminophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine
CID 13155729
4-(4-ethoxyphenyl)-1,3-oxazol-2-amine
CID 62065908
4-N-(4-ethoxyphenyl)benzene-1,2,4-triamine
CID 106750281
2-tert-butyl-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine
CID 80955700

Frequently Asked Questions

What is the IUPAC name of 5-N,2-bis(4-ethoxyphenyl)-1,3-oxazole-4,5-diamine?
The IUPAC name of 5-N,2-bis(4-ethoxyphenyl)-1,3-oxazole-4,5-diamine (CID 70846683) is 5-N,2-bis(4-ethoxyphenyl)-1,3-oxazole-4,5-diamine.
What is the SMILES notation for 5-N,2-bis(4-ethoxyphenyl)-1,3-oxazole-4,5-diamine?
The canonical SMILES for 5-N,2-bis(4-ethoxyphenyl)-1,3-oxazole-4,5-diamine is CCOc1ccc(Nc2oc(-c3ccc(OCC)cc3)nc2N)cc1.
What is the InChIKey of 5-N,2-bis(4-ethoxyphenyl)-1,3-oxazole-4,5-diamine?
The InChIKey is LLLJYBWFLXZLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-3-23-15-9-5-13(6-10-15)18-22-17(20)19(25-18)21-14-7-11-16(12-8-14)24-4-2/h5-12,21H,3-4,20H2,1-2H3.
What are the key properties of 5-N,2-bis(4-ethoxyphenyl)-1,3-oxazole-4,5-diamine?
5-N,2-bis(4-ethoxyphenyl)-1,3-oxazole-4,5-diamine has a molecular weight of 339.40 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,2-bis(4-ethoxyphenyl)-1,3-oxazole-4,5-diamine is sourced from PubChem (CID 70846683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).