N,N-diethyl-5-methyl-2-[[(5-methylthiophene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide

C16H21N3O3S — CID 53195587

IUPACN,N-diethyl-5-methyl-2-[[(5-methylthiophene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCCN(CC)C(=O)c1nc(CNC(=O)c2ccc(C)s2)oc1C
InChIInChI=1S/C16H21N3O3S/c1-5-19(6-2)16(21)14-11(4)22-13(18-14)9-17-15(20)12-8-7-10(3)23-12/h7-8H,5-6,9H2,1-4H3,(H,17,20)
InChIKeyJURUTPCOLZCWHF-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.76
Rot. Bonds6

About N,N-diethyl-5-methyl-2-[[(5-methylthiophene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide

N,N-diethyl-5-methyl-2-[[(5-methylthiophene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 53195587) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N,N-diethyl-5-methyl-2-[[(5-methylthiophene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-methyl-2-[[(5-methylthiophene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide
PubChem CID53195587
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN,N-diethyl-5-methyl-2-[[(5-methylthiophene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCCN(CC)C(=O)c1nc(CNC(=O)c2ccc(C)s2)oc1C
InChIInChI=1S/C16H21N3O3S/c1-5-19(6-2)16(21)14-11(4)22-13(18-14)9-17-15(20)12-8-7-10(3)23-12/h7-8H,5-6,9H2,1-4H3,(H,17,20)
InChIKeyJURUTPCOLZCWHF-UHFFFAOYSA-N
XLogP2.76
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-methyl-2-[[(5-methylthiophene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N,N-diethyl-5-methyl-2-[[(5-methylthiophene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide (CID 53195587) is N,N-diethyl-5-methyl-2-[[(5-methylthiophene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-5-methyl-2-[[(5-methylthiophene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-5-methyl-2-[[(5-methylthiophene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide is CCN(CC)C(=O)c1nc(CNC(=O)c2ccc(C)s2)oc1C.
What is the InChIKey of N,N-diethyl-5-methyl-2-[[(5-methylthiophene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is JURUTPCOLZCWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-5-19(6-2)16(21)14-11(4)22-13(18-14)9-17-15(20)12-8-7-10(3)23-12/h7-8H,5-6,9H2,1-4H3,(H,17,20).
What are the key properties of N,N-diethyl-5-methyl-2-[[(5-methylthiophene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide?
N,N-diethyl-5-methyl-2-[[(5-methylthiophene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-methyl-2-[[(5-methylthiophene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53195587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).