1-(1,2-benzoxazol-3-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide

C17H19N5O4S — CID 122318950

IUPAC1-(1,2-benzoxazol-3-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1noc2ccccc12)NCc1nccc(N2CCOCC2)n1
InChIInChI=1S/C17H19N5O4S/c23-27(24,12-14-13-3-1-2-4-15(13)26-21-14)19-11-16-18-6-5-17(20-16)22-7-9-25-10-8-22/h1-6,19H,7-12H2
InChIKeyGNOSHXIGEYHTSI-UHFFFAOYSA-N
MW389.44 g/mol
LogP1.07
Rot. Bonds6

About 1-(1,2-benzoxazol-3-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide

1-(1,2-benzoxazol-3-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide (PubChem CID 122318950) has the molecular formula C17H19N5O4S and a molecular weight of 389.44 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide
PubChem CID122318950
Molecular FormulaC17H19N5O4S
Molecular Weight389.44 g/mol
Exact Mass389.12
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1noc2ccccc12)NCc1nccc(N2CCOCC2)n1
InChIInChI=1S/C17H19N5O4S/c23-27(24,12-14-13-3-1-2-4-15(13)26-21-14)19-11-16-18-6-5-17(20-16)22-7-9-25-10-8-22/h1-6,19H,7-12H2
InChIKeyGNOSHXIGEYHTSI-UHFFFAOYSA-N
XLogP1.07
TPSA110.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(1,2-benzoxazol-3-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-difluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide
CID 122318923
2-(2,6-dioxopiperidin-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide
CID 122318899
2,6-difluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318910
3,5-dimethyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 72718132
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-oxochromene-2-carboxamide
CID 122318781
1-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide
CID 122318932
4-ethoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 91966800
1-(1,2-benzoxazol-3-yl)-N-(2-phenoxyethyl)methanesulfonamide
CID 90624648
1-(1,2-benzoxazol-3-yl)-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]methanesulfonamide
CID 122295064
(E)-2-(4-methylphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethenesulfonamide
CID 122318920
1-(1,2-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]methanesulfonamide
CID 90624629
N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 72718077

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide (CID 122318950) is 1-(1,2-benzoxazol-3-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide is O=S(=O)(Cc1noc2ccccc12)NCc1nccc(N2CCOCC2)n1.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide?
The InChIKey is GNOSHXIGEYHTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4S/c23-27(24,12-14-13-3-1-2-4-15(13)26-21-14)19-11-16-18-6-5-17(20-16)22-7-9-25-10-8-22/h1-6,19H,7-12H2.
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide?
1-(1,2-benzoxazol-3-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide has a molecular weight of 389.44 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-3-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 122318950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).