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

C22H24ClN3O4 — CID 50764156

IUPACN-[4-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-3-cyclopentylpropanamide
SMILESCc1cc2nc(COc3cc(Cl)ccc3NC(=O)CCC3CCCC3)cc(=O)n2o1
InChIInChI=1S/C22H24ClN3O4/c1-14-10-20-24-17(12-22(28)26(20)30-14)13-29-19-11-16(23)7-8-18(19)25-21(27)9-6-15-4-2-3-5-15/h7-8,10-12,15H,2-6,9,13H2,1H3,(H,25,27)
InChIKeyMCPMARCVRKORGY-UHFFFAOYSA-N
MW429.90 g/mol
LogP4.74
Rot. Bonds7

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

N-[4-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-3-cyclopentylpropanamide (PubChem CID 50764156) has the molecular formula C22H24ClN3O4 and a molecular weight of 429.90 g/mol. Its IUPAC name is N-[4-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-3-cyclopentylpropanamide
PubChem CID50764156
Molecular FormulaC22H24ClN3O4
Molecular Weight429.90 g/mol
Exact Mass429.15
IUPAC NameN-[4-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-3-cyclopentylpropanamide
SMILESCc1cc2nc(COc3cc(Cl)ccc3NC(=O)CCC3CCCC3)cc(=O)n2o1
InChIInChI=1S/C22H24ClN3O4/c1-14-10-20-24-17(12-22(28)26(20)30-14)13-29-19-11-16(23)7-8-18(19)25-21(27)9-6-15-4-2-3-5-15/h7-8,10-12,15H,2-6,9,13H2,1H3,(H,25,27)
InChIKeyMCPMARCVRKORGY-UHFFFAOYSA-N
XLogP4.74
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.90
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-3-cyclopentylpropanamide?
The IUPAC name of N-[4-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-3-cyclopentylpropanamide (CID 50764156) is N-[4-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-3-cyclopentylpropanamide.
What is the SMILES notation for N-[4-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-3-cyclopentylpropanamide?
The canonical SMILES for N-[4-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-3-cyclopentylpropanamide is Cc1cc2nc(COc3cc(Cl)ccc3NC(=O)CCC3CCCC3)cc(=O)n2o1.
What is the InChIKey of N-[4-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-3-cyclopentylpropanamide?
The InChIKey is MCPMARCVRKORGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O4/c1-14-10-20-24-17(12-22(28)26(20)30-14)13-29-19-11-16(23)7-8-18(19)25-21(27)9-6-15-4-2-3-5-15/h7-8,10-12,15H,2-6,9,13H2,1H3,(H,25,27).
What are the key properties of N-[4-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-3-cyclopentylpropanamide?
N-[4-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-3-cyclopentylpropanamide has a molecular weight of 429.90 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-3-cyclopentylpropanamide is sourced from PubChem (CID 50764156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).