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

C19H25N3O3 — CID 50808863

IUPACN-(4-ethoxyphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCCC2c2c(C)noc2CC)cc1
InChIInChI=1S/C19H25N3O3/c1-4-17-18(13(3)21-25-17)16-7-6-12-22(16)19(23)20-14-8-10-15(11-9-14)24-5-2/h8-11,16H,4-7,12H2,1-3H3,(H,20,23)
InChIKeyCRVDDHDMHGPCGP-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.31
Rot. Bonds5

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

N-(4-ethoxyphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide (PubChem CID 50808863) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
PubChem CID50808863
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-(4-ethoxyphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCCC2c2c(C)noc2CC)cc1
InChIInChI=1S/C19H25N3O3/c1-4-17-18(13(3)21-25-17)16-7-6-12-22(16)19(23)20-14-8-10-15(11-9-14)24-5-2/h8-11,16H,4-7,12H2,1-3H3,(H,20,23)
InChIKeyCRVDDHDMHGPCGP-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
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-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide (CID 50808863) is N-(4-ethoxyphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide is CCOc1ccc(NC(=O)N2CCCC2c2c(C)noc2CC)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is CRVDDHDMHGPCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-17-18(13(3)21-25-17)16-7-6-12-22(16)19(23)20-14-8-10-15(11-9-14)24-5-2/h8-11,16H,4-7,12H2,1-3H3,(H,20,23).
What are the key properties of N-(4-ethoxyphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide?
N-(4-ethoxyphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 4.31, 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-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 50808863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).