5-(2-chlorophenyl)-N-[1-[2-(dimethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-1,2-oxazole-3-carboxamide

C19H25ClN4O3 — CID 42823042

IUPAC5-(2-chlorophenyl)-N-[1-[2-(dimethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCC(C)C(NC(=O)c1cc(-c2ccccc2Cl)on1)C(=O)NCCN(C)C
InChIInChI=1S/C19H25ClN4O3/c1-12(2)17(19(26)21-9-10-24(3)4)22-18(25)15-11-16(27-23-15)13-7-5-6-8-14(13)20/h5-8,11-12,17H,9-10H2,1-4H3,(H,21,26)(H,22,25)
InChIKeyMXBIAORYTMHVLE-UHFFFAOYSA-N
MW392.89 g/mol
LogP2.43
Rot. Bonds8

About 5-(2-chlorophenyl)-N-[1-[2-(dimethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-1,2-oxazole-3-carboxamide

5-(2-chlorophenyl)-N-[1-[2-(dimethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 42823042) has the molecular formula C19H25ClN4O3 and a molecular weight of 392.89 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[1-[2-(dimethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[1-[2-(dimethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID42823042
Molecular FormulaC19H25ClN4O3
Molecular Weight392.89 g/mol
Exact Mass392.16
IUPAC Name5-(2-chlorophenyl)-N-[1-[2-(dimethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCC(C)C(NC(=O)c1cc(-c2ccccc2Cl)on1)C(=O)NCCN(C)C
InChIInChI=1S/C19H25ClN4O3/c1-12(2)17(19(26)21-9-10-24(3)4)22-18(25)15-11-16(27-23-15)13-7-5-6-8-14(13)20/h5-8,11-12,17H,9-10H2,1-4H3,(H,21,26)(H,22,25)
InChIKeyMXBIAORYTMHVLE-UHFFFAOYSA-N
XLogP2.43
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,5-dimethoxyphenyl)-N-[(2S)-1-[2-(dimethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-1,2-oxazole-3-carboxamide
CID 93143982
(2R)-2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid
CID 119364201
N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 44602317
N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 93140630
N-[(2R)-1-(cyclopropylmethylamino)-3-methyl-1-oxobutan-2-yl]-5-(2,5-dimethylphenyl)-1,2-oxazole-3-carboxamide
CID 93144025
2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-2-cyclopropylacetic acid
CID 119213207
N-[1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-5-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 51069936
5-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 1093872
1-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]ethanone;ethane
CID 178176313
5-(2,4-dimethoxyphenyl)-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]-1,2-oxazole-3-carboxamide
CID 46141512
5-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 1093869
N-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-5-(2,5-dimethylphenyl)-1,2-oxazole-3-carboxamide
CID 93144013

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-[1-[2-(dimethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-[1-[2-(dimethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-1,2-oxazole-3-carboxamide (CID 42823042) is 5-(2-chlorophenyl)-N-[1-[2-(dimethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[1-[2-(dimethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-[1-[2-(dimethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-1,2-oxazole-3-carboxamide is CC(C)C(NC(=O)c1cc(-c2ccccc2Cl)on1)C(=O)NCCN(C)C.
What is the InChIKey of 5-(2-chlorophenyl)-N-[1-[2-(dimethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is MXBIAORYTMHVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O3/c1-12(2)17(19(26)21-9-10-24(3)4)22-18(25)15-11-16(27-23-15)13-7-5-6-8-14(13)20/h5-8,11-12,17H,9-10H2,1-4H3,(H,21,26)(H,22,25).
What are the key properties of 5-(2-chlorophenyl)-N-[1-[2-(dimethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-1,2-oxazole-3-carboxamide?
5-(2-chlorophenyl)-N-[1-[2-(dimethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 392.89 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-[1-[2-(dimethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42823042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).