N,N-diethyl-5-methyl-2-[(quinoline-2-carbonylamino)methyl]-1,3-oxazole-4-carboxamide

C20H22N4O3 — CID 53195593

IUPACN,N-diethyl-5-methyl-2-[(quinoline-2-carbonylamino)methyl]-1,3-oxazole-4-carboxamide
SMILESCCN(CC)C(=O)c1nc(CNC(=O)c2ccc3ccccc3n2)oc1C
InChIInChI=1S/C20H22N4O3/c1-4-24(5-2)20(26)18-13(3)27-17(23-18)12-21-19(25)16-11-10-14-8-6-7-9-15(14)22-16/h6-11H,4-5,12H2,1-3H3,(H,21,25)
InChIKeyIBZVAIYGOMCQGZ-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.94
Rot. Bonds6

About N,N-diethyl-5-methyl-2-[(quinoline-2-carbonylamino)methyl]-1,3-oxazole-4-carboxamide

N,N-diethyl-5-methyl-2-[(quinoline-2-carbonylamino)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 53195593) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N,N-diethyl-5-methyl-2-[(quinoline-2-carbonylamino)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-methyl-2-[(quinoline-2-carbonylamino)methyl]-1,3-oxazole-4-carboxamide
PubChem CID53195593
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN,N-diethyl-5-methyl-2-[(quinoline-2-carbonylamino)methyl]-1,3-oxazole-4-carboxamide
SMILESCCN(CC)C(=O)c1nc(CNC(=O)c2ccc3ccccc3n2)oc1C
InChIInChI=1S/C20H22N4O3/c1-4-24(5-2)20(26)18-13(3)27-17(23-18)12-21-19(25)16-11-10-14-8-6-7-9-15(14)22-16/h6-11H,4-5,12H2,1-3H3,(H,21,25)
InChIKeyIBZVAIYGOMCQGZ-UHFFFAOYSA-N
XLogP2.94
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-2-[(1H-indazole-3-carbonylamino)methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 53195608
2-[[(3,5-dimethylbenzoyl)amino]methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide
CID 53195598
N-[2-(ethylamino)-2-oxoethyl]quinoline-2-carboxamide
CID 9224319
N-(pyridin-2-ylmethyl)quinoline-2-carboxamide
CID 712665
N-[(3-methylthiophen-2-yl)methyl]quinoline-2-carboxamide
CID 32958855
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N-[[4-(hydroxymethyl)phenyl]methyl]quinoline-2-carboxamide
CID 68840052
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064
N-ethyl-N-methylquinoline-2-carboxamide
CID 19793658
N-(2-chlorobutyl)quinoline-2-carboxamide
CID 113492870
N-(2-hydroxy-2-methylbutyl)quinoline-2-carboxamide
CID 65115019
N-(2-oxoethyl)quinoline-2-carboxamide
CID 134322736

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-methyl-2-[(quinoline-2-carbonylamino)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N,N-diethyl-5-methyl-2-[(quinoline-2-carbonylamino)methyl]-1,3-oxazole-4-carboxamide (CID 53195593) is N,N-diethyl-5-methyl-2-[(quinoline-2-carbonylamino)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-5-methyl-2-[(quinoline-2-carbonylamino)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-5-methyl-2-[(quinoline-2-carbonylamino)methyl]-1,3-oxazole-4-carboxamide is CCN(CC)C(=O)c1nc(CNC(=O)c2ccc3ccccc3n2)oc1C.
What is the InChIKey of N,N-diethyl-5-methyl-2-[(quinoline-2-carbonylamino)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is IBZVAIYGOMCQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-4-24(5-2)20(26)18-13(3)27-17(23-18)12-21-19(25)16-11-10-14-8-6-7-9-15(14)22-16/h6-11H,4-5,12H2,1-3H3,(H,21,25).
What are the key properties of N,N-diethyl-5-methyl-2-[(quinoline-2-carbonylamino)methyl]-1,3-oxazole-4-carboxamide?
N,N-diethyl-5-methyl-2-[(quinoline-2-carbonylamino)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.94, 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-[(quinoline-2-carbonylamino)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53195593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).