4-(benzhydrylideneamino)-3-methoxy-N-methyl-N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)thiophene-2-carboxamide

C24H23N3O3S — CID 88940007

IUPAC4-(benzhydrylideneamino)-3-methoxy-N-methyl-N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)thiophene-2-carboxamide
SMILESCOc1c(N=C(c2ccccc2)c2ccccc2)csc1C(=O)N(C)C1=NOC(C)C1
InChIInChI=1S/C24H23N3O3S/c1-16-14-20(26-30-16)27(2)24(28)23-22(29-3)19(15-31-23)25-21(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,15-16H,14H2,1-3H3
InChIKeyWAZAKSNRTBPAPQ-UHFFFAOYSA-N
MW433.53 g/mol
LogP5.12
Rot. Bonds5

About 4-(benzhydrylideneamino)-3-methoxy-N-methyl-N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)thiophene-2-carboxamide

4-(benzhydrylideneamino)-3-methoxy-N-methyl-N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)thiophene-2-carboxamide (PubChem CID 88940007) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is 4-(benzhydrylideneamino)-3-methoxy-N-methyl-N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(benzhydrylideneamino)-3-methoxy-N-methyl-N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)thiophene-2-carboxamide
PubChem CID88940007
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Name4-(benzhydrylideneamino)-3-methoxy-N-methyl-N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)thiophene-2-carboxamide
SMILESCOc1c(N=C(c2ccccc2)c2ccccc2)csc1C(=O)N(C)C1=NOC(C)C1
InChIInChI=1S/C24H23N3O3S/c1-16-14-20(26-30-16)27(2)24(28)23-22(29-3)19(15-31-23)25-21(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,15-16H,14H2,1-3H3
InChIKeyWAZAKSNRTBPAPQ-UHFFFAOYSA-N
XLogP5.12
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.53
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(benzhydrylideneamino)-3-methoxy-N-methyl-N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of 4-(benzhydrylideneamino)-3-methoxy-N-methyl-N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)thiophene-2-carboxamide (CID 88940007) is 4-(benzhydrylideneamino)-3-methoxy-N-methyl-N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-(benzhydrylideneamino)-3-methoxy-N-methyl-N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-(benzhydrylideneamino)-3-methoxy-N-methyl-N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)thiophene-2-carboxamide is COc1c(N=C(c2ccccc2)c2ccccc2)csc1C(=O)N(C)C1=NOC(C)C1.
What is the InChIKey of 4-(benzhydrylideneamino)-3-methoxy-N-methyl-N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)thiophene-2-carboxamide?
The InChIKey is WAZAKSNRTBPAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-16-14-20(26-30-16)27(2)24(28)23-22(29-3)19(15-31-23)25-21(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,15-16H,14H2,1-3H3.
What are the key properties of 4-(benzhydrylideneamino)-3-methoxy-N-methyl-N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)thiophene-2-carboxamide?
4-(benzhydrylideneamino)-3-methoxy-N-methyl-N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)thiophene-2-carboxamide has a molecular weight of 433.53 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzhydrylideneamino)-3-methoxy-N-methyl-N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 88940007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).