N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropanecarboxamide

C19H19N3O4 — CID 50764150

IUPACN-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(OCc2cc(=O)n3oc(C)cc3n2)c(NC(=O)C2CC2)c1
InChIInChI=1S/C19H19N3O4/c1-11-3-6-16(15(7-11)21-19(24)13-4-5-13)25-10-14-9-18(23)22-17(20-14)8-12(2)26-22/h3,6-9,13H,4-5,10H2,1-2H3,(H,21,24)
InChIKeyWVJSQLUPOFSMJP-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.83
Rot. Bonds5

About N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropanecarboxamide

N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropanecarboxamide (PubChem CID 50764150) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropanecarboxamide
PubChem CID50764150
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(OCc2cc(=O)n3oc(C)cc3n2)c(NC(=O)C2CC2)c1
InChIInChI=1S/C19H19N3O4/c1-11-3-6-16(15(7-11)21-19(24)13-4-5-13)25-10-14-9-18(23)22-17(20-14)8-12(2)26-22/h3,6-9,13H,4-5,10H2,1-2H3,(H,21,24)
InChIKeyWVJSQLUPOFSMJP-UHFFFAOYSA-N
XLogP2.83
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropanecarboxamide (CID 50764150) is N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropanecarboxamide is Cc1ccc(OCc2cc(=O)n3oc(C)cc3n2)c(NC(=O)C2CC2)c1.
What is the InChIKey of N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropanecarboxamide?
The InChIKey is WVJSQLUPOFSMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-11-3-6-16(15(7-11)21-19(24)13-4-5-13)25-10-14-9-18(23)22-17(20-14)8-12(2)26-22/h3,6-9,13H,4-5,10H2,1-2H3,(H,21,24).
What are the key properties of N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropanecarboxamide?
N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropanecarboxamide has a molecular weight of 353.38 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 50764150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).