N-[3-(diethylcarbamoyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C22H23N3O3 — CID 26070791

IUPACN-[3-(diethylcarbamoyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2c(-c3ccccc3)noc2C)c1
InChIInChI=1S/C22H23N3O3/c1-4-25(5-2)22(27)17-12-9-13-18(14-17)23-21(26)19-15(3)28-24-20(19)16-10-7-6-8-11-16/h6-14H,4-5H2,1-3H3,(H,23,26)
InChIKeyORFDBYRUYRZHJU-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.38
Rot. Bonds6

About N-[3-(diethylcarbamoyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[3-(diethylcarbamoyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 26070791) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[3-(diethylcarbamoyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylcarbamoyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID26070791
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[3-(diethylcarbamoyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2c(-c3ccccc3)noc2C)c1
InChIInChI=1S/C22H23N3O3/c1-4-25(5-2)22(27)17-12-9-13-18(14-17)23-21(26)19-15(3)28-24-20(19)16-10-7-6-8-11-16/h6-14H,4-5H2,1-3H3,(H,23,26)
InChIKeyORFDBYRUYRZHJU-UHFFFAOYSA-N
XLogP4.38
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylcarbamoyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 32850824
3-(2-chloro-6-fluorophenyl)-N-[3-(diethylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 31365657
N-[3-(diethylcarbamoyl)phenyl]-2,4,5-trimethylfuran-3-carboxamide
CID 51246740
N-(3-chlorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 873609
N-[3-(diethylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51148639
N-(3-iodo-4-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2649068
methyl 5-(diethylcarbamoyl)-4-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate
CID 3452130
5-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 60557129
N-(3,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2366225
N-[3-(diethylcarbamoyl)phenyl]-3-methylbenzamide
CID 17194507
N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 26712665
N-[3-[(4-fluorophenyl)methoxy]phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 34608313

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 26070791) is N-[3-(diethylcarbamoyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-(diethylcarbamoyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[3-(diethylcarbamoyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is CCN(CC)C(=O)c1cccc(NC(=O)c2c(-c3ccccc3)noc2C)c1.
What is the InChIKey of N-[3-(diethylcarbamoyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is ORFDBYRUYRZHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-4-25(5-2)22(27)17-12-9-13-18(14-17)23-21(26)19-15(3)28-24-20(19)16-10-7-6-8-11-16/h6-14H,4-5H2,1-3H3,(H,23,26).
What are the key properties of N-[3-(diethylcarbamoyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[3-(diethylcarbamoyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 4.38, 6 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-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 26070791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).