N-[(3-methoxyphenyl)methyl]-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide

C19H25N3O3 — CID 53096412

IUPACN-[(3-methoxyphenyl)methyl]-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
SMILESCCCc1cc(C2CCCN2C(=O)NCc2cccc(OC)c2)no1
InChIInChI=1S/C19H25N3O3/c1-3-6-16-12-17(21-25-16)18-9-5-10-22(18)19(23)20-13-14-7-4-8-15(11-14)24-2/h4,7-8,11-12,18H,3,5-6,9-10,13H2,1-2H3,(H,20,23)
InChIKeyLXGWKBONOLWJRC-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.68
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide

N-[(3-methoxyphenyl)methyl]-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide (PubChem CID 53096412) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
PubChem CID53096412
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
SMILESCCCc1cc(C2CCCN2C(=O)NCc2cccc(OC)c2)no1
InChIInChI=1S/C19H25N3O3/c1-3-6-16-12-17(21-25-16)18-9-5-10-22(18)19(23)20-13-14-7-4-8-15(11-14)24-2/h4,7-8,11-12,18H,3,5-6,9-10,13H2,1-2H3,(H,20,23)
InChIKeyLXGWKBONOLWJRC-UHFFFAOYSA-N
XLogP3.68
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide (CID 53096412) is N-[(3-methoxyphenyl)methyl]-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide is CCCc1cc(C2CCCN2C(=O)NCc2cccc(OC)c2)no1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is LXGWKBONOLWJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-3-6-16-12-17(21-25-16)18-9-5-10-22(18)19(23)20-13-14-7-4-8-15(11-14)24-2/h4,7-8,11-12,18H,3,5-6,9-10,13H2,1-2H3,(H,20,23).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
N-[(3-methoxyphenyl)methyl]-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 53096412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).