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

C17H14N4O3S — CID 9385128

IUPAC(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)Sc2ncnc3c2oc2ccccc23)no1
InChIInChI=1S/C17H14N4O3S/c1-9-7-13(21-24-9)20-16(22)10(2)25-17-15-14(18-8-19-17)11-5-3-4-6-12(11)23-15/h3-8,10H,1-2H3,(H,20,21,22)/t10-/m1/s1
InChIKeyKOEZXLVPKWMKOH-SNVBAGLBSA-N
MW354.39 g/mol
LogP3.79
Rot. Bonds4

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

(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 9385128) has the molecular formula C17H14N4O3S and a molecular weight of 354.39 g/mol. Its IUPAC name is (2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID9385128
Molecular FormulaC17H14N4O3S
Molecular Weight354.39 g/mol
Exact Mass354.08
IUPAC Name(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)Sc2ncnc3c2oc2ccccc23)no1
InChIInChI=1S/C17H14N4O3S/c1-9-7-13(21-24-9)20-16(22)10(2)25-17-15-14(18-8-19-17)11-5-3-4-6-12(11)23-15/h3-8,10H,1-2H3,(H,20,21,22)/t10-/m1/s1
InChIKeyKOEZXLVPKWMKOH-SNVBAGLBSA-N
XLogP3.79
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(2,4-difluorophenyl)propanamide
CID 9385088
(2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 9385083
2-[[(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)propanoyl]amino]thiophene-3-carboxamide
CID 9385121
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 78667507
N-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylpropanamide
CID 23914590
(2R)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 41103853
2-(2-aminophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 71669849
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)propanamide
CID 51316282
N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 135677011
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide
CID 8726369
(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 41323684
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 23743258

Frequently Asked Questions

What is the IUPAC name of (2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of (2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 9385128) is (2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for (2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)[C@@H](C)Sc2ncnc3c2oc2ccccc23)no1.
What is the InChIKey of (2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is KOEZXLVPKWMKOH-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H14N4O3S/c1-9-7-13(21-24-9)20-16(22)10(2)25-17-15-14(18-8-19-17)11-5-3-4-6-12(11)23-15/h3-8,10H,1-2H3,(H,20,21,22)/t10-/m1/s1.
What are the key properties of (2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 354.39 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 9385128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).