N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide

C15H16N4O4 — CID 95074228

IUPACN-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCc1noc2ncn(CC(=O)N[C@@H](C)Cc3ccco3)c(=O)c12
InChIInChI=1S/C15H16N4O4/c1-9(6-11-4-3-5-22-11)17-12(20)7-19-8-16-14-13(15(19)21)10(2)18-23-14/h3-5,8-9H,6-7H2,1-2H3,(H,17,20)/t9-/m0/s1
InChIKeyVNUCQJPOOYGDRH-VIFPVBQESA-N
MW316.32 g/mol
LogP1.03
Rot. Bonds5

About N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide

N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide (PubChem CID 95074228) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
PubChem CID95074228
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC NameN-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCc1noc2ncn(CC(=O)N[C@@H](C)Cc3ccco3)c(=O)c12
InChIInChI=1S/C15H16N4O4/c1-9(6-11-4-3-5-22-11)17-12(20)7-19-8-16-14-13(15(19)21)10(2)18-23-14/h3-5,8-9H,6-7H2,1-2H3,(H,17,20)/t9-/m0/s1
InChIKeyVNUCQJPOOYGDRH-VIFPVBQESA-N
XLogP1.03
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[7-(4-chlorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-[(2S)-1-(furan-2-yl)propan-2-yl]acetamide
CID 92707125
2-[7-(4-chlorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-[1-(furan-2-yl)propan-2-yl]acetamide
CID 20932135
N-(2,3-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086651
2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 53023985
N-(2-methoxyphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086653
N-[4-(furan-2-yl)butan-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 47010073
3-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid
CID 45406874
2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]acetamide
CID 93060408
N-(3-methoxypropyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 46350088
N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086660
N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-(3-methylpyrazol-1-yl)propanamide
CID 92707875
N-(2-ethylphenyl)-N-methyl-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 20924606

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide (CID 95074228) is N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide is Cc1noc2ncn(CC(=O)N[C@@H](C)Cc3ccco3)c(=O)c12.
What is the InChIKey of N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide?
The InChIKey is VNUCQJPOOYGDRH-VIFPVBQESA-N. The full InChI is InChI=1S/C15H16N4O4/c1-9(6-11-4-3-5-22-11)17-12(20)7-19-8-16-14-13(15(19)21)10(2)18-23-14/h3-5,8-9H,6-7H2,1-2H3,(H,17,20)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide?
N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide has a molecular weight of 316.32 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 95074228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).