1-(1,2-benzoxazol-3-yl)-N-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methyl]methanesulfonamide

C16H16N4O4S — CID 167804134

IUPAC1-(1,2-benzoxazol-3-yl)-N-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methyl]methanesulfonamide
SMILESO=c1cc(CNS(=O)(=O)Cc2noc3ccccc23)nc(C2CC2)[nH]1
InChIInChI=1S/C16H16N4O4S/c21-15-7-11(18-16(19-15)10-5-6-10)8-17-25(22,23)9-13-12-3-1-2-4-14(12)24-20-13/h1-4,7,10,17H,5-6,8-9H2,(H,18,19,21)
InChIKeyPFJOIXYFPPYURF-UHFFFAOYSA-N
MW360.40 g/mol
LogP1.41
Rot. Bonds6

About 1-(1,2-benzoxazol-3-yl)-N-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methyl]methanesulfonamide

1-(1,2-benzoxazol-3-yl)-N-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methyl]methanesulfonamide (PubChem CID 167804134) has the molecular formula C16H16N4O4S and a molecular weight of 360.40 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-N-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methyl]methanesulfonamide
PubChem CID167804134
Molecular FormulaC16H16N4O4S
Molecular Weight360.40 g/mol
Exact Mass360.09
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methyl]methanesulfonamide
SMILESO=c1cc(CNS(=O)(=O)Cc2noc3ccccc23)nc(C2CC2)[nH]1
InChIInChI=1S/C16H16N4O4S/c21-15-7-11(18-16(19-15)10-5-6-10)8-17-25(22,23)9-13-12-3-1-2-4-14(12)24-20-13/h1-4,7,10,17H,5-6,8-9H2,(H,18,19,21)
InChIKeyPFJOIXYFPPYURF-UHFFFAOYSA-N
XLogP1.41
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(1,2-benzoxazol-3-yl)-N-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-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

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methyl]methanesulfonamide (CID 167804134) is 1-(1,2-benzoxazol-3-yl)-N-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methyl]methanesulfonamide is O=c1cc(CNS(=O)(=O)Cc2noc3ccccc23)nc(C2CC2)[nH]1.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methyl]methanesulfonamide?
The InChIKey is PFJOIXYFPPYURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4S/c21-15-7-11(18-16(19-15)10-5-6-10)8-17-25(22,23)9-13-12-3-1-2-4-14(12)24-20-13/h1-4,7,10,17H,5-6,8-9H2,(H,18,19,21).
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methyl]methanesulfonamide?
1-(1,2-benzoxazol-3-yl)-N-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methyl]methanesulfonamide has a molecular weight of 360.40 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-3-yl)-N-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 167804134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).