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

C22H29N3O3 — CID 46027779

IUPACN-(3-methoxypropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide
SMILESCOCCCN(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)C1CC1
InChIInChI=1S/C22H29N3O3/c1-27-15-7-14-25(21(26)18-10-11-18)16-19-20(17-8-3-2-4-9-17)23-28-22(19)24-12-5-6-13-24/h2-4,8-9,18H,5-7,10-16H2,1H3
InChIKeyRMDWHNPYDHEXNW-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.72
Rot. Bonds9

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

N-(3-methoxypropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide (PubChem CID 46027779) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide
PubChem CID46027779
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-(3-methoxypropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide
SMILESCOCCCN(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)C1CC1
InChIInChI=1S/C22H29N3O3/c1-27-15-7-14-25(21(26)18-10-11-18)16-19-20(17-8-3-2-4-9-17)23-28-22(19)24-12-5-6-13-24/h2-4,8-9,18H,5-7,10-16H2,1H3
InChIKeyRMDWHNPYDHEXNW-UHFFFAOYSA-N
XLogP3.72
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-(3-methoxypropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide (CID 46027779) is N-(3-methoxypropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-(3-methoxypropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide is COCCCN(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)C1CC1.
What is the InChIKey of N-(3-methoxypropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide?
The InChIKey is RMDWHNPYDHEXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-27-15-7-14-25(21(26)18-10-11-18)16-19-20(17-8-3-2-4-9-17)23-28-22(19)24-12-5-6-13-24/h2-4,8-9,18H,5-7,10-16H2,1H3.
What are the key properties of N-(3-methoxypropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide?
N-(3-methoxypropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide has a molecular weight of 383.49 g/mol, XLogP of 3.72, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 46027779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).