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

C19H25N3O3 — CID 47000820

IUPACN-(4-ethoxyphenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCCC2c2cc(C(C)C)on2)cc1
InChIInChI=1S/C19H25N3O3/c1-4-24-15-9-7-14(8-10-15)20-19(23)22-11-5-6-17(22)16-12-18(13(2)3)25-21-16/h7-10,12-13,17H,4-6,11H2,1-3H3,(H,20,23)
InChIKeyUGCLRDCVVFERSZ-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.57
Rot. Bonds5

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

N-(4-ethoxyphenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide (PubChem CID 47000820) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
PubChem CID47000820
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-(4-ethoxyphenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCCC2c2cc(C(C)C)on2)cc1
InChIInChI=1S/C19H25N3O3/c1-4-24-15-9-7-14(8-10-15)20-19(23)22-11-5-6-17(22)16-12-18(13(2)3)25-21-16/h7-10,12-13,17H,4-6,11H2,1-3H3,(H,20,23)
InChIKeyUGCLRDCVVFERSZ-UHFFFAOYSA-N
XLogP4.57
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide (CID 47000820) is N-(4-ethoxyphenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide is CCOc1ccc(NC(=O)N2CCCC2c2cc(C(C)C)on2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is UGCLRDCVVFERSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-24-15-9-7-14(8-10-15)20-19(23)22-11-5-6-17(22)16-12-18(13(2)3)25-21-16/h7-10,12-13,17H,4-6,11H2,1-3H3,(H,20,23).
What are the key properties of N-(4-ethoxyphenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
N-(4-ethoxyphenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 47000820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).