1-(2-chlorophenyl)-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one

C16H14ClN5O2 — CID 72848021

IUPAC1-(2-chlorophenyl)-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCc1noc2ncnc(NC3CC(=O)N(c4ccccc4Cl)C3)c12
InChIInChI=1S/C16H14ClN5O2/c1-9-14-15(18-8-19-16(14)24-21-9)20-10-6-13(23)22(7-10)12-5-3-2-4-11(12)17/h2-5,8,10H,6-7H2,1H3,(H,18,19,20)
InChIKeyNEVDMCOARDWAGG-UHFFFAOYSA-N
MW343.77 g/mol
LogP2.80
Rot. Bonds3

About 1-(2-chlorophenyl)-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one

1-(2-chlorophenyl)-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one (PubChem CID 72848021) has the molecular formula C16H14ClN5O2 and a molecular weight of 343.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one
PubChem CID72848021
Molecular FormulaC16H14ClN5O2
Molecular Weight343.77 g/mol
Exact Mass343.08
IUPAC Name1-(2-chlorophenyl)-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCc1noc2ncnc(NC3CC(=O)N(c4ccccc4Cl)C3)c12
InChIInChI=1S/C16H14ClN5O2/c1-9-14-15(18-8-19-16(14)24-21-9)20-10-6-13(23)22(7-10)12-5-3-2-4-11(12)17/h2-5,8,10H,6-7H2,1H3,(H,18,19,20)
InChIKeyNEVDMCOARDWAGG-UHFFFAOYSA-N
XLogP2.80
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one (CID 72848021) is 1-(2-chlorophenyl)-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one is Cc1noc2ncnc(NC3CC(=O)N(c4ccccc4Cl)C3)c12.
What is the InChIKey of 1-(2-chlorophenyl)-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is NEVDMCOARDWAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2/c1-9-14-15(18-8-19-16(14)24-21-9)20-10-6-13(23)22(7-10)12-5-3-2-4-11(12)17/h2-5,8,10H,6-7H2,1H3,(H,18,19,20).
What are the key properties of 1-(2-chlorophenyl)-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one?
1-(2-chlorophenyl)-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 343.77 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 72848021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).