N-(2-methoxyethyl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide

C23H31N3O4 — CID 46014996

IUPACN-(2-methoxyethyl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide
SMILESCOCCN(Cc1c(-c2ccccc2)noc1N1CCOCC1)C(=O)C1CCCC1
InChIInChI=1S/C23H31N3O4/c1-28-14-11-26(22(27)19-9-5-6-10-19)17-20-21(18-7-3-2-4-8-18)24-30-23(20)25-12-15-29-16-13-25/h2-4,7-8,19H,5-6,9-17H2,1H3
InChIKeyRMNRZKQAVOQNTD-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.34
Rot. Bonds8

About N-(2-methoxyethyl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide

N-(2-methoxyethyl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide (PubChem CID 46014996) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide
PubChem CID46014996
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC NameN-(2-methoxyethyl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide
SMILESCOCCN(Cc1c(-c2ccccc2)noc1N1CCOCC1)C(=O)C1CCCC1
InChIInChI=1S/C23H31N3O4/c1-28-14-11-26(22(27)19-9-5-6-10-19)17-20-21(18-7-3-2-4-8-18)24-30-23(20)25-12-15-29-16-13-25/h2-4,7-8,19H,5-6,9-17H2,1H3
InChIKeyRMNRZKQAVOQNTD-UHFFFAOYSA-N
XLogP3.34
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide (CID 46014996) is N-(2-methoxyethyl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide is COCCN(Cc1c(-c2ccccc2)noc1N1CCOCC1)C(=O)C1CCCC1.
What is the InChIKey of N-(2-methoxyethyl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide?
The InChIKey is RMNRZKQAVOQNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-28-14-11-26(22(27)19-9-5-6-10-19)17-20-21(18-7-3-2-4-8-18)24-30-23(20)25-12-15-29-16-13-25/h2-4,7-8,19H,5-6,9-17H2,1H3.
What are the key properties of N-(2-methoxyethyl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide?
N-(2-methoxyethyl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide has a molecular weight of 413.52 g/mol, XLogP of 3.34, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide is sourced from PubChem (CID 46014996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).