N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide

C16H21N3O2 — CID 119805095

IUPACN-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide
SMILESCc1cccc2oc(CCNC(=O)CC3CCCN3)nc12
InChIInChI=1S/C16H21N3O2/c1-11-4-2-6-13-16(11)19-15(21-13)7-9-18-14(20)10-12-5-3-8-17-12/h2,4,6,12,17H,3,5,7-10H2,1H3,(H,18,20)
InChIKeyPHZPRHBOWHPZDB-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.94
Rot. Bonds5

About N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide

N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119805095) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119805095
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide
SMILESCc1cccc2oc(CCNC(=O)CC3CCCN3)nc12
InChIInChI=1S/C16H21N3O2/c1-11-4-2-6-13-16(11)19-15(21-13)7-9-18-14(20)10-12-5-3-8-17-12/h2,4,6,12,17H,3,5,7-10H2,1H3,(H,18,20)
InChIKeyPHZPRHBOWHPZDB-UHFFFAOYSA-N
XLogP1.94
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyethylamino)-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]acetamide
CID 119805097
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 106416150
1-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropane-1-carboxamide
CID 119805023
N-[2-(2,6-dimethylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119734952
(2R)-2-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]propanamide
CID 119335823
N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119335797
2-[ethylsulfonyl(methyl)amino]-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]acetamide
CID 100638472
N-[2-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371395
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 63239882
N-[2-(4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371571
3-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide;hydrochloride
CID 119770329
N-[2-(2-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371407

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide (CID 119805095) is N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide is Cc1cccc2oc(CCNC(=O)CC3CCCN3)nc12.
What is the InChIKey of N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is PHZPRHBOWHPZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-4-2-6-13-16(11)19-15(21-13)7-9-18-14(20)10-12-5-3-8-17-12/h2,4,6,12,17H,3,5,7-10H2,1H3,(H,18,20).
What are the key properties of N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide?
N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 287.36 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119805095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).