N-methyl-N-[[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]methyl]thiophene-2-carboxamide

C18H19N3O2S — CID 75427344

IUPACN-methyl-N-[[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]methyl]thiophene-2-carboxamide
SMILESCc1cnc(CNc2ccccc2CN(C)C(=O)c2cccs2)o1
InChIInChI=1S/C18H19N3O2S/c1-13-10-20-17(23-13)11-19-15-7-4-3-6-14(15)12-21(2)18(22)16-8-5-9-24-16/h3-10,19H,11-12H2,1-2H3
InChIKeyLMHCBHOTPRYXNV-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.93
Rot. Bonds6

About N-methyl-N-[[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]methyl]thiophene-2-carboxamide

N-methyl-N-[[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]methyl]thiophene-2-carboxamide (PubChem CID 75427344) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-methyl-N-[[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]methyl]thiophene-2-carboxamide
PubChem CID75427344
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-methyl-N-[[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]methyl]thiophene-2-carboxamide
SMILESCc1cnc(CNc2ccccc2CN(C)C(=O)c2cccs2)o1
InChIInChI=1S/C18H19N3O2S/c1-13-10-20-17(23-13)11-19-15-7-4-3-6-14(15)12-21(2)18(22)16-8-5-9-24-16/h3-10,19H,11-12H2,1-2H3
InChIKeyLMHCBHOTPRYXNV-UHFFFAOYSA-N
XLogP3.93
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-methyl-N-[[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]methyl]thiophene-2-carboxamide (CID 75427344) is N-methyl-N-[[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-[[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]methyl]thiophene-2-carboxamide is Cc1cnc(CNc2ccccc2CN(C)C(=O)c2cccs2)o1.
What is the InChIKey of N-methyl-N-[[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is LMHCBHOTPRYXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-13-10-20-17(23-13)11-19-15-7-4-3-6-14(15)12-21(2)18(22)16-8-5-9-24-16/h3-10,19H,11-12H2,1-2H3.
What are the key properties of N-methyl-N-[[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]methyl]thiophene-2-carboxamide?
N-methyl-N-[[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 75427344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).