N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide

C24H21N5O4S — CID 25012065

IUPACN-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide
SMILESCc1cc(CNS(=O)(=O)Cc2ccc3ccc4ncc(-c5cnn(C)c5)cc4c(=O)c3c2)on1
InChIInChI=1S/C24H21N5O4S/c1-15-7-20(33-28-15)12-27-34(31,32)14-16-3-4-17-5-6-23-22(24(30)21(17)8-16)9-18(10-25-23)19-11-26-29(2)13-19/h3-11,13,27H,12,14H2,1-2H3
InChIKeyBSNOEESDDBRLHZ-UHFFFAOYSA-N
MW475.53 g/mol
LogP3.06
Rot. Bonds6

About N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide (PubChem CID 25012065) has the molecular formula C24H21N5O4S and a molecular weight of 475.53 g/mol. Its IUPAC name is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide
PubChem CID25012065
Molecular FormulaC24H21N5O4S
Molecular Weight475.53 g/mol
Exact Mass475.13
IUPAC NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide
SMILESCc1cc(CNS(=O)(=O)Cc2ccc3ccc4ncc(-c5cnn(C)c5)cc4c(=O)c3c2)on1
InChIInChI=1S/C24H21N5O4S/c1-15-7-20(33-28-15)12-27-34(31,32)14-16-3-4-17-5-6-23-22(24(30)21(17)8-16)9-18(10-25-23)19-11-26-29(2)13-19/h3-11,13,27H,12,14H2,1-2H3
InChIKeyBSNOEESDDBRLHZ-UHFFFAOYSA-N
XLogP3.06
TPSA119.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.53
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide?
The IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide (CID 25012065) is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide.
What is the SMILES notation for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide?
The canonical SMILES for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide is Cc1cc(CNS(=O)(=O)Cc2ccc3ccc4ncc(-c5cnn(C)c5)cc4c(=O)c3c2)on1.
What is the InChIKey of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide?
The InChIKey is BSNOEESDDBRLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O4S/c1-15-7-20(33-28-15)12-27-34(31,32)14-16-3-4-17-5-6-23-22(24(30)21(17)8-16)9-18(10-25-23)19-11-26-29(2)13-19/h3-11,13,27H,12,14H2,1-2H3.
What are the key properties of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide?
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide has a molecular weight of 475.53 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide is sourced from PubChem (CID 25012065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).