N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropanecarboxamide

C18H17N3O4 — CID 50764129

IUPACN-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropanecarboxamide
SMILESCc1cc2nc(COc3ccc(NC(=O)C4CC4)cc3)cc(=O)n2o1
InChIInChI=1S/C18H17N3O4/c1-11-8-16-19-14(9-17(22)21(16)25-11)10-24-15-6-4-13(5-7-15)20-18(23)12-2-3-12/h4-9,12H,2-3,10H2,1H3,(H,20,23)
InChIKeyIRLVMVGOIRZWBI-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.52
Rot. Bonds5

About N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropanecarboxamide

N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropanecarboxamide (PubChem CID 50764129) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropanecarboxamide
PubChem CID50764129
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropanecarboxamide
SMILESCc1cc2nc(COc3ccc(NC(=O)C4CC4)cc3)cc(=O)n2o1
InChIInChI=1S/C18H17N3O4/c1-11-8-16-19-14(9-17(22)21(16)25-11)10-24-15-6-4-13(5-7-15)20-18(23)12-2-3-12/h4-9,12H,2-3,10H2,1H3,(H,20,23)
InChIKeyIRLVMVGOIRZWBI-UHFFFAOYSA-N
XLogP2.52
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[4-({8-Methyl-4-oxo-4H-pyrido[1,2-A]pyrimidin-2-YL}methoxy)phenyl]-2-phenoxybutanamide
CID 16030383
N-[4-({3-Methyl-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methoxy)phenyl]pentanamide
CID 16009518
2,2-Dimethyl-N-[4-({8-methyl-4-oxo-4H-pyrido[1,2-A]pyrimidin-2-YL}methoxy)phenyl]propanamide
CID 16030353
2-Ethyl-N-[4-({8-methyl-4-oxo-4H-pyrido[1,2-A]pyrimidin-2-YL}methoxy)phenyl]butanamide
CID 16030355
N-[4-({4-Oxo-4H-pyrido[1,2-A]pyrimidin-2-YL}methoxy)phenyl]acetamide
CID 16030572
2-Methyl-N-[4-({3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methoxy)phenyl]propanamide
CID 16009516
2-ethyl-N-{4-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}butanamide
CID 16009654
2-Methyl-N-[4-({9-methyl-4-oxo-4H-pyrido[1,2-A]pyrimidin-2-YL}methoxy)phenyl]propanamide
CID 16030311
N-[4-({8-Methyl-4-oxo-4H-pyrido[1,2-A]pyrimidin-2-YL}methoxy)phenyl]pentanamide
CID 16030351
2-Methyl-N-[2-({4-oxo-4H-pyrido[1,2-A]pyrimidin-2-YL}methoxy)phenyl]propanamide
CID 16030436
3-Methyl-N-[2-({4-oxo-4H-pyrido[1,2-A]pyrimidin-2-YL}methoxy)phenyl]butanamide
CID 16030438
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-methoxyphenyl)propanamide
CID 135777123

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropanecarboxamide (CID 50764129) is N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropanecarboxamide is Cc1cc2nc(COc3ccc(NC(=O)C4CC4)cc3)cc(=O)n2o1.
What is the InChIKey of N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropanecarboxamide?
The InChIKey is IRLVMVGOIRZWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-11-8-16-19-14(9-17(22)21(16)25-11)10-24-15-6-4-13(5-7-15)20-18(23)12-2-3-12/h4-9,12H,2-3,10H2,1H3,(H,20,23).
What are the key properties of N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropanecarboxamide?
N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropanecarboxamide has a molecular weight of 339.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 50764129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).