2-(5-propyl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide

C20H27N3O5 — CID 47000851

IUPAC2-(5-propyl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCCCc1cc(C2CCCN2C(=O)Nc2cc(OC)c(OC)c(OC)c2)no1
InChIInChI=1S/C20H27N3O5/c1-5-7-14-12-15(22-28-14)16-8-6-9-23(16)20(24)21-13-10-17(25-2)19(27-4)18(11-13)26-3/h10-12,16H,5-9H2,1-4H3,(H,21,24)
InChIKeyRRSFETLHKYYDQU-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.02
Rot. Bonds7

About 2-(5-propyl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide

2-(5-propyl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 47000851) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is 2-(5-propyl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(5-propyl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID47000851
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Name2-(5-propyl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCCCc1cc(C2CCCN2C(=O)Nc2cc(OC)c(OC)c(OC)c2)no1
InChIInChI=1S/C20H27N3O5/c1-5-7-14-12-15(22-28-14)16-8-6-9-23(16)20(24)21-13-10-17(25-2)19(27-4)18(11-13)26-3/h10-12,16H,5-9H2,1-4H3,(H,21,24)
InChIKeyRRSFETLHKYYDQU-UHFFFAOYSA-N
XLogP4.02
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-propyl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(5-propyl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide (CID 47000851) is 2-(5-propyl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(5-propyl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(5-propyl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide is CCCc1cc(C2CCCN2C(=O)Nc2cc(OC)c(OC)c(OC)c2)no1.
What is the InChIKey of 2-(5-propyl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is RRSFETLHKYYDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-5-7-14-12-15(22-28-14)16-8-6-9-23(16)20(24)21-13-10-17(25-2)19(27-4)18(11-13)26-3/h10-12,16H,5-9H2,1-4H3,(H,21,24).
What are the key properties of 2-(5-propyl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide?
2-(5-propyl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 389.45 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propyl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 47000851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).