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

C18H22ClN3O3 — CID 50971382

IUPACN-[2-chloro-5-(diethylcarbamoyl)phenyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)Nc2cc(C(=O)N(CC)CC)ccc2Cl)o1
InChIInChI=1S/C18H22ClN3O3/c1-5-15-20-11(4)16(25-15)17(23)21-14-10-12(8-9-13(14)19)18(24)22(6-2)7-3/h8-10H,5-7H2,1-4H3,(H,21,23)
InChIKeyYRQPEUDROYQBGE-UHFFFAOYSA-N
MW363.85 g/mol
LogP3.93
Rot. Bonds6

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

N-[2-chloro-5-(diethylcarbamoyl)phenyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 50971382) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is N-[2-chloro-5-(diethylcarbamoyl)phenyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(diethylcarbamoyl)phenyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID50971382
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC NameN-[2-chloro-5-(diethylcarbamoyl)phenyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)Nc2cc(C(=O)N(CC)CC)ccc2Cl)o1
InChIInChI=1S/C18H22ClN3O3/c1-5-15-20-11(4)16(25-15)17(23)21-14-10-12(8-9-13(14)19)18(24)22(6-2)7-3/h8-10H,5-7H2,1-4H3,(H,21,23)
InChIKeyYRQPEUDROYQBGE-UHFFFAOYSA-N
XLogP3.93
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(diethylcarbamoyl)phenyl]-N',N'-diethyloxamide
CID 50961889
methyl 4-chloro-3-[[6-(diethylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109099029
3-N-(2,5-dichlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106831
N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
CID 136545208
4-chloro-N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 169370448
N-(2-chlorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 4140143
N-[2-chloro-5-[[4-(diethylcarbamoyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 34542770
2-tert-butyl-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47086686
1-N-(2,6-dichlorophenyl)-3-N,3-N-diethylbenzene-1,3-dicarboxamide
CID 109055921
3,4-dichloro-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-ethylbenzamide
CID 5198515
N,N-diethyl-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79026164
2-[(3,4-dichlorobenzoyl)-ethylamino]acetic acid
CID 54901166

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(diethylcarbamoyl)phenyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[2-chloro-5-(diethylcarbamoyl)phenyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide (CID 50971382) is N-[2-chloro-5-(diethylcarbamoyl)phenyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(diethylcarbamoyl)phenyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[2-chloro-5-(diethylcarbamoyl)phenyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide is CCc1nc(C)c(C(=O)Nc2cc(C(=O)N(CC)CC)ccc2Cl)o1.
What is the InChIKey of N-[2-chloro-5-(diethylcarbamoyl)phenyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is YRQPEUDROYQBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c1-5-15-20-11(4)16(25-15)17(23)21-14-10-12(8-9-13(14)19)18(24)22(6-2)7-3/h8-10H,5-7H2,1-4H3,(H,21,23).
What are the key properties of N-[2-chloro-5-(diethylcarbamoyl)phenyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide?
N-[2-chloro-5-(diethylcarbamoyl)phenyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 363.85 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(diethylcarbamoyl)phenyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 50971382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).