(5R)-3-(5-chloro-2,4-dimethoxyphenyl)-N-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C23H28ClN5O5 — CID 1249890

IUPAC(5R)-3-(5-chloro-2,4-dimethoxyphenyl)-N-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1cc(OC)c(C2=NO[C@@H](C(=O)Nc3c(C)nn(CC(=O)N4CCCC4)c3C)C2)cc1Cl
InChIInChI=1S/C23H28ClN5O5/c1-13-22(14(2)29(26-13)12-21(30)28-7-5-6-8-28)25-23(31)20-10-17(27-34-20)15-9-16(24)19(33-4)11-18(15)32-3/h9,11,20H,5-8,10,12H2,1-4H3,(H,25,31)/t20-/m1/s1
InChIKeyQFERJQHQUBJEAJ-HXUWFJFHSA-N
MW489.96 g/mol
LogP2.92
Rot. Bonds7

About (5R)-3-(5-chloro-2,4-dimethoxyphenyl)-N-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide

(5R)-3-(5-chloro-2,4-dimethoxyphenyl)-N-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 1249890) has the molecular formula C23H28ClN5O5 and a molecular weight of 489.96 g/mol. Its IUPAC name is (5R)-3-(5-chloro-2,4-dimethoxyphenyl)-N-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-(5-chloro-2,4-dimethoxyphenyl)-N-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID1249890
Molecular FormulaC23H28ClN5O5
Molecular Weight489.96 g/mol
Exact Mass489.18
IUPAC Name(5R)-3-(5-chloro-2,4-dimethoxyphenyl)-N-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1cc(OC)c(C2=NO[C@@H](C(=O)Nc3c(C)nn(CC(=O)N4CCCC4)c3C)C2)cc1Cl
InChIInChI=1S/C23H28ClN5O5/c1-13-22(14(2)29(26-13)12-21(30)28-7-5-6-8-28)25-23(31)20-10-17(27-34-20)15-9-16(24)19(33-4)11-18(15)32-3/h9,11,20H,5-8,10,12H2,1-4H3,(H,25,31)/t20-/m1/s1
InChIKeyQFERJQHQUBJEAJ-HXUWFJFHSA-N
XLogP2.92
TPSA107.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.96
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (5R)-3-(5-chloro-2,4-dimethoxyphenyl)-N-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

[(5R)-3-(5-chloro-2,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperazin-4-ium-1-yl)methanone
CID 7373904
(5R)-3-(5-chloro-2,4-dimethoxyphenyl)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1251909
N-[1-[(2,4-dichlorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493579
(5S)-3-(5-chloro-2,4-dimethoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 7373745
[3-(5-chloro-2,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 2975347
N-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloro-2,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 2973618
N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493638
N-(2,6-dichlorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19495821
N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491547
(5R)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40504811
N-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19495823
3-(5-chloro-2,4-dimethoxyphenyl)-5-ethyl-4,5-dihydro-1,2-oxazole
CID 144746972

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(5-chloro-2,4-dimethoxyphenyl)-N-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-3-(5-chloro-2,4-dimethoxyphenyl)-N-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 1249890) is (5R)-3-(5-chloro-2,4-dimethoxyphenyl)-N-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-3-(5-chloro-2,4-dimethoxyphenyl)-N-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-3-(5-chloro-2,4-dimethoxyphenyl)-N-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1cc(OC)c(C2=NO[C@@H](C(=O)Nc3c(C)nn(CC(=O)N4CCCC4)c3C)C2)cc1Cl.
What is the InChIKey of (5R)-3-(5-chloro-2,4-dimethoxyphenyl)-N-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is QFERJQHQUBJEAJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H28ClN5O5/c1-13-22(14(2)29(26-13)12-21(30)28-7-5-6-8-28)25-23(31)20-10-17(27-34-20)15-9-16(24)19(33-4)11-18(15)32-3/h9,11,20H,5-8,10,12H2,1-4H3,(H,25,31)/t20-/m1/s1.
What are the key properties of (5R)-3-(5-chloro-2,4-dimethoxyphenyl)-N-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5R)-3-(5-chloro-2,4-dimethoxyphenyl)-N-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 489.96 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(5-chloro-2,4-dimethoxyphenyl)-N-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 1249890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).