2-ethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidine-2-carboxamide

C15H19N3O2 — CID 83072450

IUPAC2-ethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2ccc3oc(C)nc3c2)CCCN1
InChIInChI=1S/C15H19N3O2/c1-3-15(7-4-8-16-15)14(19)18-11-5-6-13-12(9-11)17-10(2)20-13/h5-6,9,16H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyCORHCRBFEPCXQY-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.61
Rot. Bonds3

About 2-ethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidine-2-carboxamide

2-ethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidine-2-carboxamide (PubChem CID 83072450) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-ethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidine-2-carboxamide
PubChem CID83072450
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-ethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2ccc3oc(C)nc3c2)CCCN1
InChIInChI=1S/C15H19N3O2/c1-3-15(7-4-8-16-15)14(19)18-11-5-6-13-12(9-11)17-10(2)20-13/h5-6,9,16H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyCORHCRBFEPCXQY-UHFFFAOYSA-N
XLogP2.61
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-(2-methyl-1H-indol-5-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 126793937
N-(3-chloro-4-hydroxyphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 107679774
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 61273973
2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide
CID 83071655
1-(4-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide
CID 37040333
N-(4-butylphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83080696
1-(2,5-dimethylphenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide
CID 39677964
N-(2-methyl-1,3-benzoxazol-5-yl)-2-piperidin-4-ylacetamide;dihydrochloride
CID 119833735
3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61276265
N-(4,6-dimethoxypyrimidin-2-yl)-2-ethylpyrrolidine-2-carboxamide
CID 107625898
N-(3-chloro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106973980
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 17413483

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 2-ethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidine-2-carboxamide (CID 83072450) is 2-ethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-ethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 2-ethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidine-2-carboxamide is CCC1(C(=O)Nc2ccc3oc(C)nc3c2)CCCN1.
What is the InChIKey of 2-ethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is CORHCRBFEPCXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-15(7-4-8-16-15)14(19)18-11-5-6-13-12(9-11)17-10(2)20-13/h5-6,9,16H,3-4,7-8H2,1-2H3,(H,18,19).
What are the key properties of 2-ethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidine-2-carboxamide?
2-ethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 83072450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).