N-[(2S)-butan-2-yl]-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]benzamide

C17H19N5O2 — CID 99844668

IUPACN-[(2S)-butan-2-yl]-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]benzamide
SMILESCC[C@H](C)NC(=O)c1ccc(Nc2ncnc3onc(C)c23)cc1
InChIInChI=1S/C17H19N5O2/c1-4-10(2)20-16(23)12-5-7-13(8-6-12)21-15-14-11(3)22-24-17(14)19-9-18-15/h5-10H,4H2,1-3H3,(H,20,23)(H,18,19,21)/t10-/m0/s1
InChIKeyAKWNKUQLZQICRY-JTQLQIEISA-N
MW325.37 g/mol
LogP3.20
Rot. Bonds5

About N-[(2S)-butan-2-yl]-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]benzamide

N-[(2S)-butan-2-yl]-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]benzamide (PubChem CID 99844668) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]benzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]benzamide
PubChem CID99844668
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-[(2S)-butan-2-yl]-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]benzamide
SMILESCC[C@H](C)NC(=O)c1ccc(Nc2ncnc3onc(C)c23)cc1
InChIInChI=1S/C17H19N5O2/c1-4-10(2)20-16(23)12-5-7-13(8-6-12)21-15-14-11(3)22-24-17(14)19-9-18-15/h5-10H,4H2,1-3H3,(H,20,23)(H,18,19,21)/t10-/m0/s1
InChIKeyAKWNKUQLZQICRY-JTQLQIEISA-N
XLogP3.20
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-butan-2-yl]-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]benzamide 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

diethyl 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanedioate
CID 20924759
N-butan-2-yl-4-(propylamino)benzamide
CID 62171300
4-acetamido-N-butan-2-ylbenzamide
CID 4540233
4-amino-N-butan-2-ylbenzamide
CID 3503917
N-butan-2-yl-4-(pyrido[2,3-b]pyrazin-6-ylamino)benzamide
CID 133309570
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359455
N-(3-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20924757
N-(3-chlorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20924668
ethyl 3-hydroxy-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate
CID 20924763
N-[(2R)-butan-2-yl]-4-ethoxybenzamide
CID 721844
N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]pentanediamide
CID 17201639
N-[(2R)-butan-2-yl]-4-(phenylcarbamoylamino)benzamide
CID 42427532

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]benzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]benzamide (CID 99844668) is N-[(2S)-butan-2-yl]-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]benzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]benzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]benzamide is CC[C@H](C)NC(=O)c1ccc(Nc2ncnc3onc(C)c23)cc1.
What is the InChIKey of N-[(2S)-butan-2-yl]-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]benzamide?
The InChIKey is AKWNKUQLZQICRY-JTQLQIEISA-N. The full InChI is InChI=1S/C17H19N5O2/c1-4-10(2)20-16(23)12-5-7-13(8-6-12)21-15-14-11(3)22-24-17(14)19-9-18-15/h5-10H,4H2,1-3H3,(H,20,23)(H,18,19,21)/t10-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]benzamide?
N-[(2S)-butan-2-yl]-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]benzamide has a molecular weight of 325.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]benzamide is sourced from PubChem (CID 99844668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).