N-cyclopropyl-3-(4-oxo-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide

C17H16N4O3 — CID 50759218

IUPACN-cyclopropyl-3-(4-oxo-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide
SMILESO=C(CCn1cnc2onc(-c3ccccc3)c2c1=O)NC1CC1
InChIInChI=1S/C17H16N4O3/c22-13(19-12-6-7-12)8-9-21-10-18-16-14(17(21)23)15(20-24-16)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H,19,22)
InChIKeyRRTNPRVMPHXFCH-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.72
Rot. Bonds5

About N-cyclopropyl-3-(4-oxo-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide

N-cyclopropyl-3-(4-oxo-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide (PubChem CID 50759218) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-cyclopropyl-3-(4-oxo-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(4-oxo-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide
PubChem CID50759218
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC NameN-cyclopropyl-3-(4-oxo-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide
SMILESO=C(CCn1cnc2onc(-c3ccccc3)c2c1=O)NC1CC1
InChIInChI=1S/C17H16N4O3/c22-13(19-12-6-7-12)8-9-21-10-18-16-14(17(21)23)15(20-24-16)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H,19,22)
InChIKeyRRTNPRVMPHXFCH-UHFFFAOYSA-N
XLogP1.72
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-3-(4-oxo-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide 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

N-cyclopropyl-3-(4,5-diphenylimidazol-1-yl)propanamide
CID 110436229
N-(2-ethoxyphenyl)-3-(4-oxo-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 50759165
N-(4-chloro-2-fluorophenyl)-3-(4-oxo-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 46280000
3-[3-(4-methylphenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 92864334
N-(4-bromo-2-fluorophenyl)-3-(4-oxo-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 50759173
N-(2-fluorophenyl)-3-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 46280042
N-[(2-chlorophenyl)methyl]-3-[3-(4-methylphenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 46279891
3-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-propan-2-ylpropanamide
CID 45106689
N-[(2-methoxyphenyl)methyl]-3-[3-(4-methylphenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 46279913
N-[(2-bromophenyl)methyl]-3-[3-(3-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 46279875
N-(3-ethylphenyl)-3-[3-(4-methylphenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 46279916
N-cyclopropyl-3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide
CID 114583075

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(4-oxo-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide?
The IUPAC name of N-cyclopropyl-3-(4-oxo-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide (CID 50759218) is N-cyclopropyl-3-(4-oxo-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(4-oxo-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide?
The canonical SMILES for N-cyclopropyl-3-(4-oxo-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide is O=C(CCn1cnc2onc(-c3ccccc3)c2c1=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-(4-oxo-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide?
The InChIKey is RRTNPRVMPHXFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c22-13(19-12-6-7-12)8-9-21-10-18-16-14(17(21)23)15(20-24-16)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H,19,22).
What are the key properties of N-cyclopropyl-3-(4-oxo-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide?
N-cyclopropyl-3-(4-oxo-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide has a molecular weight of 324.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(4-oxo-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide is sourced from PubChem (CID 50759218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).