N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide

C20H15N5O4S — CID 122285724

IUPACN-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
SMILESCn1c(=O)oc2ccc(S(=O)(=O)Nc3ccc(-c4cn5cccnc5n4)cc3)cc21
InChIInChI=1S/C20H15N5O4S/c1-24-17-11-15(7-8-18(17)29-20(24)26)30(27,28)23-14-5-3-13(4-6-14)16-12-25-10-2-9-21-19(25)22-16/h2-12,23H,1H3
InChIKeyLJBNPPSVFJRBKL-UHFFFAOYSA-N
MW421.44 g/mol
LogP2.64
Rot. Bonds4

About N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide

N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide (PubChem CID 122285724) has the molecular formula C20H15N5O4S and a molecular weight of 421.44 g/mol. Its IUPAC name is N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
PubChem CID122285724
Molecular FormulaC20H15N5O4S
Molecular Weight421.44 g/mol
Exact Mass421.08
IUPAC NameN-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
SMILESCn1c(=O)oc2ccc(S(=O)(=O)Nc3ccc(-c4cn5cccnc5n4)cc3)cc21
InChIInChI=1S/C20H15N5O4S/c1-24-17-11-15(7-8-18(17)29-20(24)26)30(27,28)23-14-5-3-13(4-6-14)16-12-25-10-2-9-21-19(25)22-16/h2-12,23H,1H3
InChIKeyLJBNPPSVFJRBKL-UHFFFAOYSA-N
XLogP2.64
TPSA111.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(2,5-dioxopyrrolidin-1-yl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide
CID 122285743
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzenesulfonamide
CID 121028727
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-iodobenzenesulfonamide
CID 121055508
2-(2,6-dioxopiperidin-1-yl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)ethanesulfonamide
CID 122285690
2,4-dichloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylbenzenesulfonamide
CID 122285702
3-chloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylbenzenesulfonamide
CID 122285699
5-chloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 6494020
N-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 110760854
4-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzenesulfonamide
CID 22581302
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-nitrobenzenesulfonamide
CID 2981233
N-(2-ethoxypyrimidin-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122302129
(E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-(4-methylphenyl)ethenesulfonamide
CID 122285710

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide (CID 122285724) is N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide is Cn1c(=O)oc2ccc(S(=O)(=O)Nc3ccc(-c4cn5cccnc5n4)cc3)cc21.
What is the InChIKey of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
The InChIKey is LJBNPPSVFJRBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O4S/c1-24-17-11-15(7-8-18(17)29-20(24)26)30(27,28)23-14-5-3-13(4-6-14)16-12-25-10-2-9-21-19(25)22-16/h2-12,23H,1H3.
What are the key properties of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide has a molecular weight of 421.44 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 122285724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).