N-[3-(diethylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide

C16H19N3O3 — CID 51148639

IUPACN-[3-(diethylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2cc(C)on2)c1
InChIInChI=1S/C16H19N3O3/c1-4-19(5-2)16(21)12-7-6-8-13(10-12)17-15(20)14-9-11(3)22-18-14/h6-10H,4-5H2,1-3H3,(H,17,20)
InChIKeyGTDYGYXFABLFRQ-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.72
Rot. Bonds5

About N-[3-(diethylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[3-(diethylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 51148639) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[3-(diethylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID51148639
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[3-(diethylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2cc(C)on2)c1
InChIInChI=1S/C16H19N3O3/c1-4-19(5-2)16(21)12-7-6-8-13(10-12)17-15(20)14-9-11(3)22-18-14/h6-10H,4-5H2,1-3H3,(H,17,20)
InChIKeyGTDYGYXFABLFRQ-UHFFFAOYSA-N
XLogP2.72
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 58725196
N-[3-(diethylcarbamoyl)phenyl]-3-methylbenzamide
CID 17194507
N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 26712665
N-[3-(diethylcarbamoyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 26070791
3-(2-chloro-6-fluorophenyl)-N-[3-(diethylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 31365657
2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide
CID 17194505
3-chloro-N-[3-(diethylcarbamoyl)phenyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 78784719
N-[3-(diethylcarbamoyl)phenyl]-2,4,5-trimethylfuran-3-carboxamide
CID 51246740
N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 86931949
3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N,N-diethylbenzamide
CID 26070875
N,N-diethyl-3-(methylcarbamoylamino)benzamide
CID 47173763
N-[3-(diethylcarbamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 38823864

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 51148639) is N-[3-(diethylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(diethylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(diethylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide is CCN(CC)C(=O)c1cccc(NC(=O)c2cc(C)on2)c1.
What is the InChIKey of N-[3-(diethylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is GTDYGYXFABLFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-4-19(5-2)16(21)12-7-6-8-13(10-12)17-15(20)14-9-11(3)22-18-14/h6-10H,4-5H2,1-3H3,(H,17,20).
What are the key properties of N-[3-(diethylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[3-(diethylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51148639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).