N-(3-methoxypropyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide

C12H19N3O3 — CID 3665787

IUPACN-(3-methoxypropyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
SMILESCOCCCNC(=O)c1coc(C2CCCN2)n1
InChIInChI=1S/C12H19N3O3/c1-17-7-3-6-14-11(16)10-8-18-12(15-10)9-4-2-5-13-9/h8-9,13H,2-7H2,1H3,(H,14,16)
InChIKeyIRMLPQMTCREHML-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.87
Rot. Bonds6

About N-(3-methoxypropyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide

N-(3-methoxypropyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 3665787) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
PubChem CID3665787
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-(3-methoxypropyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
SMILESCOCCCNC(=O)c1coc(C2CCCN2)n1
InChIInChI=1S/C12H19N3O3/c1-17-7-3-6-14-11(16)10-8-18-12(15-10)9-4-2-5-13-9/h8-9,13H,2-7H2,1H3,(H,14,16)
InChIKeyIRMLPQMTCREHML-UHFFFAOYSA-N
XLogP0.87
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.87
H-Bond Donors ≤ 52
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)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide (CID 3665787) is N-(3-methoxypropyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide is COCCCNC(=O)c1coc(C2CCCN2)n1.
What is the InChIKey of N-(3-methoxypropyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is IRMLPQMTCREHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-17-7-3-6-14-11(16)10-8-18-12(15-10)9-4-2-5-13-9/h8-9,13H,2-7H2,1H3,(H,14,16).
What are the key properties of N-(3-methoxypropyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide?
N-(3-methoxypropyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3665787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).