N-(2,4-dimethoxyphenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide

C19H25N3O4 — CID 47000926

IUPACN-(2,4-dimethoxyphenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCC2c2cc(C(C)C)on2)c(OC)c1
InChIInChI=1S/C19H25N3O4/c1-12(2)17-11-15(21-26-17)16-6-5-9-22(16)19(23)20-14-8-7-13(24-3)10-18(14)25-4/h7-8,10-12,16H,5-6,9H2,1-4H3,(H,20,23)
InChIKeyNDNXZNYPQHXHCY-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.18
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide

N-(2,4-dimethoxyphenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide (PubChem CID 47000926) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
PubChem CID47000926
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCC2c2cc(C(C)C)on2)c(OC)c1
InChIInChI=1S/C19H25N3O4/c1-12(2)17-11-15(21-26-17)16-6-5-9-22(16)19(23)20-14-8-7-13(24-3)10-18(14)25-4/h7-8,10-12,16H,5-6,9H2,1-4H3,(H,20,23)
InChIKeyNDNXZNYPQHXHCY-UHFFFAOYSA-N
XLogP4.18
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide (CID 47000926) is N-(2,4-dimethoxyphenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide is COc1ccc(NC(=O)N2CCCC2c2cc(C(C)C)on2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is NDNXZNYPQHXHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-12(2)17-11-15(21-26-17)16-6-5-9-22(16)19(23)20-14-8-7-13(24-3)10-18(14)25-4/h7-8,10-12,16H,5-6,9H2,1-4H3,(H,20,23).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
N-(2,4-dimethoxyphenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 47000926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).