N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide

C24H20ClN5O3 — CID 20920097

IUPACN-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
SMILESCc1cc2n(n1)CCC(=O)N2Cc1ccc(C(=O)Nc2cc(-c3cccc(Cl)c3)no2)cc1
InChIInChI=1S/C24H20ClN5O3/c1-15-11-22-29(23(31)9-10-30(22)27-15)14-16-5-7-17(8-6-16)24(32)26-21-13-20(28-33-21)18-3-2-4-19(25)12-18/h2-8,11-13H,9-10,14H2,1H3,(H,26,32)
InChIKeyGEGZUPFCXKEGOT-UHFFFAOYSA-N
MW461.91 g/mol
LogP4.69
Rot. Bonds5

About N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide

N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide (PubChem CID 20920097) has the molecular formula C24H20ClN5O3 and a molecular weight of 461.91 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
PubChem CID20920097
Molecular FormulaC24H20ClN5O3
Molecular Weight461.91 g/mol
Exact Mass461.13
IUPAC NameN-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
SMILESCc1cc2n(n1)CCC(=O)N2Cc1ccc(C(=O)Nc2cc(-c3cccc(Cl)c3)no2)cc1
InChIInChI=1S/C24H20ClN5O3/c1-15-11-22-29(23(31)9-10-30(22)27-15)14-16-5-7-17(8-6-16)24(32)26-21-13-20(28-33-21)18-3-2-4-19(25)12-18/h2-8,11-13H,9-10,14H2,1H3,(H,26,32)
InChIKeyGEGZUPFCXKEGOT-UHFFFAOYSA-N
XLogP4.69
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.91
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide?
The IUPAC name of N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide (CID 20920097) is N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide?
The canonical SMILES for N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide is Cc1cc2n(n1)CCC(=O)N2Cc1ccc(C(=O)Nc2cc(-c3cccc(Cl)c3)no2)cc1.
What is the InChIKey of N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide?
The InChIKey is GEGZUPFCXKEGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O3/c1-15-11-22-29(23(31)9-10-30(22)27-15)14-16-5-7-17(8-6-16)24(32)26-21-13-20(28-33-21)18-3-2-4-19(25)12-18/h2-8,11-13H,9-10,14H2,1H3,(H,26,32).
What are the key properties of N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide?
N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide has a molecular weight of 461.91 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide is sourced from PubChem (CID 20920097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).