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

C19H25N3O3 — CID 47001144

IUPACN-(2-ethoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCCC1c1cc(C(C)C)no1
InChIInChI=1S/C19H25N3O3/c1-4-24-17-10-6-5-8-14(17)20-19(23)22-11-7-9-16(22)18-12-15(13(2)3)21-25-18/h5-6,8,10,12-13,16H,4,7,9,11H2,1-3H3,(H,20,23)
InChIKeyYYZJPIOBCDTUSF-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.57
Rot. Bonds5

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

N-(2-ethoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 47001144) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID47001144
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-(2-ethoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCCC1c1cc(C(C)C)no1
InChIInChI=1S/C19H25N3O3/c1-4-24-17-10-6-5-8-14(17)20-19(23)22-11-7-9-16(22)18-12-15(13(2)3)21-25-18/h5-6,8,10,12-13,16H,4,7,9,11H2,1-3H3,(H,20,23)
InChIKeyYYZJPIOBCDTUSF-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-(2-ethoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (CID 47001144) is N-(2-ethoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is CCOc1ccccc1NC(=O)N1CCCC1c1cc(C(C)C)no1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is YYZJPIOBCDTUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-24-17-10-6-5-8-14(17)20-19(23)22-11-7-9-16(22)18-12-15(13(2)3)21-25-18/h5-6,8,10,12-13,16H,4,7,9,11H2,1-3H3,(H,20,23).
What are the key properties of N-(2-ethoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
N-(2-ethoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-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-(2-ethoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 47001144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).