N-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)propanamide

C17H14N4O4 — CID 51316282

IUPACN-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)propanamide
SMILESCc1cc(NC(=O)CCn2cnc3c(oc4ccccc43)c2=O)no1
InChIInChI=1S/C17H14N4O4/c1-10-8-13(20-25-10)19-14(22)6-7-21-9-18-15-11-4-2-3-5-12(11)24-16(15)17(21)23/h2-5,8-9H,6-7H2,1H3,(H,19,20,22)
InChIKeyBIGPSPGSGJFNLG-UHFFFAOYSA-N
MW338.32 g/mol
LogP2.47
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)propanamide

N-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)propanamide (PubChem CID 51316282) has the molecular formula C17H14N4O4 and a molecular weight of 338.32 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)propanamide
PubChem CID51316282
Molecular FormulaC17H14N4O4
Molecular Weight338.32 g/mol
Exact Mass338.10
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)propanamide
SMILESCc1cc(NC(=O)CCn2cnc3c(oc4ccccc43)c2=O)no1
InChIInChI=1S/C17H14N4O4/c1-10-8-13(20-25-10)19-14(22)6-7-21-9-18-15-11-4-2-3-5-12(11)24-16(15)17(21)23/h2-5,8-9H,6-7H2,1H3,(H,19,20,22)
InChIKeyBIGPSPGSGJFNLG-UHFFFAOYSA-N
XLogP2.47
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)propanamide
CID 51126583
N-naphthalen-1-yl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 4808260
N-[(3,4-dimethylphenyl)carbamoyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 31806064
2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 55527065
N-(4-iodo-2-methylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 4808279
2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(propan-2-ylcarbamoyl)acetamide
CID 4808372
N-(5-chloro-2-pyridinyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 51250651
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxothieno[3,2-d]pyrimidin-3-yl)propanamide
CID 51317593
N-(5-methyl-1,2-oxazol-3-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27161523
N-(2-bromophenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 7802170
N-(2-chlorophenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 7802162
3-methyl-N-[4-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]phenyl]butanamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)propanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)propanamide (CID 51316282) is N-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)propanamide is Cc1cc(NC(=O)CCn2cnc3c(oc4ccccc43)c2=O)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)propanamide?
The InChIKey is BIGPSPGSGJFNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O4/c1-10-8-13(20-25-10)19-14(22)6-7-21-9-18-15-11-4-2-3-5-12(11)24-16(15)17(21)23/h2-5,8-9H,6-7H2,1H3,(H,19,20,22).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)propanamide?
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)propanamide has a molecular weight of 338.32 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 51316282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).