4-(benzenesulfonyl)-N-(2-methoxyethyl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazol-5-amine

C18H18N2O4S2 — CID 71965771

IUPAC4-(benzenesulfonyl)-N-(2-methoxyethyl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazol-5-amine
SMILESCOCCNc1oc(C=Cc2cccs2)nc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H18N2O4S2/c1-23-12-11-19-17-18(26(21,22)15-7-3-2-4-8-15)20-16(24-17)10-9-14-6-5-13-25-14/h2-10,13,19H,11-12H2,1H3
InChIKeyDHBUQSQTXHEGJT-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.80
Rot. Bonds8

About 4-(benzenesulfonyl)-N-(2-methoxyethyl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazol-5-amine

4-(benzenesulfonyl)-N-(2-methoxyethyl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazol-5-amine (PubChem CID 71965771) has the molecular formula C18H18N2O4S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-(2-methoxyethyl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-(2-methoxyethyl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazol-5-amine
PubChem CID71965771
Molecular FormulaC18H18N2O4S2
Molecular Weight390.49 g/mol
Exact Mass390.07
IUPAC Name4-(benzenesulfonyl)-N-(2-methoxyethyl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazol-5-amine
SMILESCOCCNc1oc(C=Cc2cccs2)nc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H18N2O4S2/c1-23-12-11-19-17-18(26(21,22)15-7-3-2-4-8-15)20-16(24-17)10-9-14-6-5-13-25-14/h2-10,13,19H,11-12H2,1H3
InChIKeyDHBUQSQTXHEGJT-UHFFFAOYSA-N
XLogP3.80
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(benzenesulfonyl)-N-(3-methoxypropyl)-2-[2-(3-nitrophenyl)ethenyl]-1,3-oxazol-5-amine
CID 171150931
4-(benzenesulfonyl)-2-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-oxazol-5-amine
CID 18825123
2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(2-methoxyethyl)-1,3-oxazol-5-amine
CID 4704793
4-(benzenesulfonyl)-N-(furan-2-ylmethyl)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-amine
CID 6264610
4-(benzenesulfonyl)-N-(furan-2-ylmethyl)-2-(2-phenylethenyl)-1,3-oxazol-5-amine
CID 5079224
5-(3-ethoxypropylamino)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
CID 4750765
4-(3,4-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 142192774
2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3-methoxypropyl)-1,3-oxazol-5-amine
CID 18826632
4-(benzenesulfonyl)-N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine
CID 1244710
4-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)-N-(2-methoxyethyl)-1,3-oxazol-5-amine
CID 4704848
N-[4-(benzenesulfonyl)-2-(4-methoxyphenyl)-1,3-oxazol-5-yl]-N',N'-dimethylpropane-1,3-diamine
CID 4825674
3-(benzenesulfonyl)-N-(2-methoxyethyl)triazolo[1,5-a]quinazolin-5-amine
CID 20878438

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-(2-methoxyethyl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazol-5-amine?
The IUPAC name of 4-(benzenesulfonyl)-N-(2-methoxyethyl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazol-5-amine (CID 71965771) is 4-(benzenesulfonyl)-N-(2-methoxyethyl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-N-(2-methoxyethyl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazol-5-amine?
The canonical SMILES for 4-(benzenesulfonyl)-N-(2-methoxyethyl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazol-5-amine is COCCNc1oc(C=Cc2cccs2)nc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-N-(2-methoxyethyl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazol-5-amine?
The InChIKey is DHBUQSQTXHEGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S2/c1-23-12-11-19-17-18(26(21,22)15-7-3-2-4-8-15)20-16(24-17)10-9-14-6-5-13-25-14/h2-10,13,19H,11-12H2,1H3.
What are the key properties of 4-(benzenesulfonyl)-N-(2-methoxyethyl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazol-5-amine?
4-(benzenesulfonyl)-N-(2-methoxyethyl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazol-5-amine has a molecular weight of 390.49 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-(2-methoxyethyl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 71965771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).