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

C24H33N3O4 — CID 46015022

IUPACN-(3-methoxypropyl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide
SMILESCOCCCN(Cc1c(-c2ccccc2)noc1N1CCOCC1)C(=O)C1CCCC1
InChIInChI=1S/C24H33N3O4/c1-29-15-7-12-27(23(28)20-10-5-6-11-20)18-21-22(19-8-3-2-4-9-19)25-31-24(21)26-13-16-30-17-14-26/h2-4,8-9,20H,5-7,10-18H2,1H3
InChIKeyXRQBUVPAWXKJJX-UHFFFAOYSA-N
MW427.55 g/mol
LogP3.73
Rot. Bonds9

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

N-(3-methoxypropyl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide (PubChem CID 46015022) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide
PubChem CID46015022
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC NameN-(3-methoxypropyl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide
SMILESCOCCCN(Cc1c(-c2ccccc2)noc1N1CCOCC1)C(=O)C1CCCC1
InChIInChI=1S/C24H33N3O4/c1-29-15-7-12-27(23(28)20-10-5-6-11-20)18-21-22(19-8-3-2-4-9-19)25-31-24(21)26-13-16-30-17-14-26/h2-4,8-9,20H,5-7,10-18H2,1H3
InChIKeyXRQBUVPAWXKJJX-UHFFFAOYSA-N
XLogP3.73
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide
CID 46014996
N-(3-methoxypropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide
CID 46027779
N-benzyl-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide
CID 46015005
N-(3-methoxypropyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]cyclopentanecarboxamide
CID 93222395
2-fluoro-N-(3-methoxypropyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 42843727
N-[[(2S)-oxolan-2-yl]methyl]-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide
CID 93207861
1-(3-methoxypropyl)-3-(4-methylphenyl)-1-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]urea
CID 46027947
N-(2-methylpropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide
CID 24718080
N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide
CID 46023506
4-chloro-N-(3-methoxypropyl)-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
CID 42843741
N-(2-methoxyethyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
CID 93222363
1-[3-methoxypropyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 46015055

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide?
The IUPAC name of N-(3-methoxypropyl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide (CID 46015022) is N-(3-methoxypropyl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide?
The canonical SMILES for N-(3-methoxypropyl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide is COCCCN(Cc1c(-c2ccccc2)noc1N1CCOCC1)C(=O)C1CCCC1.
What is the InChIKey of N-(3-methoxypropyl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide?
The InChIKey is XRQBUVPAWXKJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-29-15-7-12-27(23(28)20-10-5-6-11-20)18-21-22(19-8-3-2-4-9-19)25-31-24(21)26-13-16-30-17-14-26/h2-4,8-9,20H,5-7,10-18H2,1H3.
What are the key properties of N-(3-methoxypropyl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide?
N-(3-methoxypropyl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide has a molecular weight of 427.55 g/mol, XLogP of 3.73, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide is sourced from PubChem (CID 46015022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).