N-[[3-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]-1,2-oxazol-5-yl]methyl]-5-ethylthiophene-2-carboxamide

C26H27N3O2S — CID 143160673

IUPACN-[[3-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]-1,2-oxazol-5-yl]methyl]-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NCc2cc(-c3cccc(-c4ccc(CN(C)C)cc4)c3)no2)s1
InChIInChI=1S/C26H27N3O2S/c1-4-23-12-13-25(32-23)26(30)27-16-22-15-24(28-31-22)21-7-5-6-20(14-21)19-10-8-18(9-11-19)17-29(2)3/h5-15H,4,16-17H2,1-3H3,(H,27,30)
InChIKeyXDQQDDMKGREADZ-UHFFFAOYSA-N
MW445.59 g/mol
LogP5.62
Rot. Bonds8

About N-[[3-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]-1,2-oxazol-5-yl]methyl]-5-ethylthiophene-2-carboxamide

N-[[3-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]-1,2-oxazol-5-yl]methyl]-5-ethylthiophene-2-carboxamide (PubChem CID 143160673) has the molecular formula C26H27N3O2S and a molecular weight of 445.59 g/mol. Its IUPAC name is N-[[3-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]-1,2-oxazol-5-yl]methyl]-5-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[3-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]-1,2-oxazol-5-yl]methyl]-5-ethylthiophene-2-carboxamide
PubChem CID143160673
Molecular FormulaC26H27N3O2S
Molecular Weight445.59 g/mol
Exact Mass445.18
IUPAC NameN-[[3-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]-1,2-oxazol-5-yl]methyl]-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NCc2cc(-c3cccc(-c4ccc(CN(C)C)cc4)c3)no2)s1
InChIInChI=1S/C26H27N3O2S/c1-4-23-12-13-25(32-23)26(30)27-16-22-15-24(28-31-22)21-7-5-6-20(14-21)19-10-8-18(9-11-19)17-29(2)3/h5-15H,4,16-17H2,1-3H3,(H,27,30)
InChIKeyXDQQDDMKGREADZ-UHFFFAOYSA-N
XLogP5.62
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.59
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]-1,2-oxazol-5-yl]methyl]-5-ethylthiophene-2-carboxamide with MolForge

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Related Compounds

1-(5-chlorothiophen-2-yl)-3-[3-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]-1,2-oxazol-5-yl]propan-1-one
CID 158474317
N-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 11696940
5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide
CID 47399039
N-[(3-aminophenyl)methyl]-5-ethylthiophene-2-carboxamide
CID 55083965
5-chloro-N-[[3-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide
CID 91515602
4-[[(5-ethylthiophene-2-carbonyl)amino]methyl]benzoic acid
CID 43358625
N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]pyridine-2-carboxamide
CID 46949493
N-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]-3-chlorothiophene-2-carboxamide
CID 91218948
5-ethyl-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
CID 83031120
N-[(3-amino-2-methylphenyl)methyl]-5-ethylthiophene-2-carboxamide
CID 103110160
N-[(3-phenyl-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide
CID 71895813
N-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-1,3-diene-1-carboxamide
CID 130347905

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]-1,2-oxazol-5-yl]methyl]-5-ethylthiophene-2-carboxamide?
The IUPAC name of N-[[3-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]-1,2-oxazol-5-yl]methyl]-5-ethylthiophene-2-carboxamide (CID 143160673) is N-[[3-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]-1,2-oxazol-5-yl]methyl]-5-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-[[3-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]-1,2-oxazol-5-yl]methyl]-5-ethylthiophene-2-carboxamide?
The canonical SMILES for N-[[3-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]-1,2-oxazol-5-yl]methyl]-5-ethylthiophene-2-carboxamide is CCc1ccc(C(=O)NCc2cc(-c3cccc(-c4ccc(CN(C)C)cc4)c3)no2)s1.
What is the InChIKey of N-[[3-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]-1,2-oxazol-5-yl]methyl]-5-ethylthiophene-2-carboxamide?
The InChIKey is XDQQDDMKGREADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2S/c1-4-23-12-13-25(32-23)26(30)27-16-22-15-24(28-31-22)21-7-5-6-20(14-21)19-10-8-18(9-11-19)17-29(2)3/h5-15H,4,16-17H2,1-3H3,(H,27,30).
What are the key properties of N-[[3-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]-1,2-oxazol-5-yl]methyl]-5-ethylthiophene-2-carboxamide?
N-[[3-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]-1,2-oxazol-5-yl]methyl]-5-ethylthiophene-2-carboxamide has a molecular weight of 445.59 g/mol, XLogP of 5.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]-1,2-oxazol-5-yl]methyl]-5-ethylthiophene-2-carboxamide is sourced from PubChem (CID 143160673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).