3-(2-chlorophenyl)-5-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-1,2-oxazole-4-carboxamide

C19H20ClN5O3 — CID 9151750

IUPAC3-(2-chlorophenyl)-5-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-1,2-oxazole-4-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)CNC(=O)c1c(-c2ccccc2Cl)noc1C
InChIInChI=1S/C19H20ClN5O3/c1-10-17(11(2)25(4)23-10)22-15(26)9-21-19(27)16-12(3)28-24-18(16)13-7-5-6-8-14(13)20/h5-8H,9H2,1-4H3,(H,21,27)(H,22,26)
InChIKeyMKIZYXOGTIUBIU-UHFFFAOYSA-N
MW401.85 g/mol
LogP3.02
Rot. Bonds5

About 3-(2-chlorophenyl)-5-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-5-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-1,2-oxazole-4-carboxamide (PubChem CID 9151750) has the molecular formula C19H20ClN5O3 and a molecular weight of 401.85 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-1,2-oxazole-4-carboxamide
PubChem CID9151750
Molecular FormulaC19H20ClN5O3
Molecular Weight401.85 g/mol
Exact Mass401.13
IUPAC Name3-(2-chlorophenyl)-5-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-1,2-oxazole-4-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)CNC(=O)c1c(-c2ccccc2Cl)noc1C
InChIInChI=1S/C19H20ClN5O3/c1-10-17(11(2)25(4)23-10)22-15(26)9-21-19(27)16-12(3)28-24-18(16)13-7-5-6-8-14(13)20/h5-8H,9H2,1-4H3,(H,21,27)(H,22,26)
InChIKeyMKIZYXOGTIUBIU-UHFFFAOYSA-N
XLogP3.02
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-chlorophenyl)-N-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]butyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4182103
3-(2-chlorophenyl)-N-[3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4102292
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 31367998
3-(2-chlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 656333
N-(2-amino-2-methylpropyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119628283
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CID 122356760
3-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 1009220
3-(2-chlorophenyl)-5-methyl-N-undecyl-1,2-oxazole-4-carboxamide
CID 4127168
3-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 121111972
3-(2-chlorophenyl)-N-(2-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2996672
3-(2-chlorophenyl)-5-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole-4-carboxamide
CID 42224430
3-(2-chlorophenyl)-5-methyl-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-1,2-oxazole-4-carboxamide
CID 90541516

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-1,2-oxazole-4-carboxamide (CID 9151750) is 3-(2-chlorophenyl)-5-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-1,2-oxazole-4-carboxamide is Cc1nn(C)c(C)c1NC(=O)CNC(=O)c1c(-c2ccccc2Cl)noc1C.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is MKIZYXOGTIUBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O3/c1-10-17(11(2)25(4)23-10)22-15(26)9-21-19(27)16-12(3)28-24-18(16)13-7-5-6-8-14(13)20/h5-8H,9H2,1-4H3,(H,21,27)(H,22,26).
What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-5-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 401.85 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 9151750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).