N-[2-cyclopropyl-7-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-1,3-benzoxazol-5-yl]methanesulfonamide

C18H19N3O5S — CID 122633759

IUPACN-[2-cyclopropyl-7-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-1,3-benzoxazol-5-yl]methanesulfonamide
SMILESCOc1cc(-c2cc(NS(C)(=O)=O)cc3nc(C4CC4)oc23)cn(C)c1=O
InChIInChI=1S/C18H19N3O5S/c1-21-9-11(6-15(25-2)18(21)22)13-7-12(20-27(3,23)24)8-14-16(13)26-17(19-14)10-4-5-10/h6-10,20H,4-5H2,1-3H3
InChIKeyQFNNXCZQCFHLSQ-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.45
Rot. Bonds5

About N-[2-cyclopropyl-7-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-1,3-benzoxazol-5-yl]methanesulfonamide

N-[2-cyclopropyl-7-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-1,3-benzoxazol-5-yl]methanesulfonamide (PubChem CID 122633759) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[2-cyclopropyl-7-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-1,3-benzoxazol-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-cyclopropyl-7-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-1,3-benzoxazol-5-yl]methanesulfonamide
PubChem CID122633759
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC NameN-[2-cyclopropyl-7-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-1,3-benzoxazol-5-yl]methanesulfonamide
SMILESCOc1cc(-c2cc(NS(C)(=O)=O)cc3nc(C4CC4)oc23)cn(C)c1=O
InChIInChI=1S/C18H19N3O5S/c1-21-9-11(6-15(25-2)18(21)22)13-7-12(20-27(3,23)24)8-14-16(13)26-17(19-14)10-4-5-10/h6-10,20H,4-5H2,1-3H3
InChIKeyQFNNXCZQCFHLSQ-UHFFFAOYSA-N
XLogP2.45
TPSA103.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-cyclopropyl-7-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-1,3-benzoxazol-5-yl]methanesulfonamide with MolForge

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Related Compounds

N-[2-cyclopentyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanesulfonamide
CID 122623685
N-[4-(2,4-difluorophenoxy)-3-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide
CID 118021474
N-[2-cyclopropyl-7-(2-methyl-1-oxoisoquinolin-4-yl)-1-benzofuran-5-yl]methanesulfonamide
CID 122633839
N-[7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-phenyl-1-benzofuran-5-yl]methanesulfonamide
CID 122623722
4-(2-cyclopropyl-5-nitro-1,3-benzoxazol-7-yl)-2-methylisoquinolin-1-one
CID 122623675
5-[2-cyclopropyl-5-(ethylsulfonylmethyl)-1-benzofuran-7-yl]-1,3-dimethylpyridin-2-one
CID 147410233
1-bromo-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)methanesulfonamide
CID 83084989
3-methoxy-1-methyl-5-pyrimidin-4-ylpyridin-2-one
CID 135334641
5-iodo-3-methoxy-1-methylpyridin-2-one
CID 135227786
3-chloro-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methylpropane-1-sulfonamide
CID 79557016
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(methanesulfonamido)propanamide
CID 47924751
5-[2-cyclopropyl-6-(ethylsulfonylmethyl)-1-methylbenzimidazol-4-yl]-1,3-dimethylpyridin-2-one
CID 147751988

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-7-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-1,3-benzoxazol-5-yl]methanesulfonamide?
The IUPAC name of N-[2-cyclopropyl-7-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-1,3-benzoxazol-5-yl]methanesulfonamide (CID 122633759) is N-[2-cyclopropyl-7-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-1,3-benzoxazol-5-yl]methanesulfonamide.
What is the SMILES notation for N-[2-cyclopropyl-7-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-1,3-benzoxazol-5-yl]methanesulfonamide?
The canonical SMILES for N-[2-cyclopropyl-7-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-1,3-benzoxazol-5-yl]methanesulfonamide is COc1cc(-c2cc(NS(C)(=O)=O)cc3nc(C4CC4)oc23)cn(C)c1=O.
What is the InChIKey of N-[2-cyclopropyl-7-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-1,3-benzoxazol-5-yl]methanesulfonamide?
The InChIKey is QFNNXCZQCFHLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-21-9-11(6-15(25-2)18(21)22)13-7-12(20-27(3,23)24)8-14-16(13)26-17(19-14)10-4-5-10/h6-10,20H,4-5H2,1-3H3.
What are the key properties of N-[2-cyclopropyl-7-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-1,3-benzoxazol-5-yl]methanesulfonamide?
N-[2-cyclopropyl-7-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-1,3-benzoxazol-5-yl]methanesulfonamide has a molecular weight of 389.43 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-7-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-1,3-benzoxazol-5-yl]methanesulfonamide is sourced from PubChem (CID 122633759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).