N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide

C19H19N3O3S — CID 87043723

IUPACN-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESCc1nc(CNC(=O)c2ccc(CNC(=O)c3cccs3)cc2)oc1C
InChIInChI=1S/C19H19N3O3S/c1-12-13(2)25-17(22-12)11-21-18(23)15-7-5-14(6-8-15)10-20-19(24)16-4-3-9-26-16/h3-9H,10-11H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyLCHLZBNYNPTACG-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.21
Rot. Bonds6

About N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide

N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide (PubChem CID 87043723) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
PubChem CID87043723
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESCc1nc(CNC(=O)c2ccc(CNC(=O)c3cccs3)cc2)oc1C
InChIInChI=1S/C19H19N3O3S/c1-12-13(2)25-17(22-12)11-21-18(23)15-7-5-14(6-8-15)10-20-19(24)16-4-3-9-26-16/h3-9H,10-11H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyLCHLZBNYNPTACG-UHFFFAOYSA-N
XLogP3.21
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(thiophen-3-ylmethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 55766242
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-carboxamide
CID 47345026
N-[[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753151
N-[[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753115
N-benzylthiophene-2-carboxamide
CID 574227
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylthiophene-2-carboxamide
CID 47344953
N-[[4-[2-[(2-chlorobenzoyl)amino]ethylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55842432
N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2979144
4-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 87043594
N-[[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 46485056
5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 55706816
N-[[4-[[2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55787133

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide (CID 87043723) is N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide is Cc1nc(CNC(=O)c2ccc(CNC(=O)c3cccs3)cc2)oc1C.
What is the InChIKey of N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is LCHLZBNYNPTACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-12-13(2)25-17(22-12)11-21-18(23)15-7-5-14(6-8-15)10-20-19(24)16-4-3-9-26-16/h3-9H,10-11H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide?
N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 87043723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).