2-(1,2-benzoxazol-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide

C16H21N3O2 — CID 63300924

IUPAC2-(1,2-benzoxazol-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
SMILESCCCN(C(=O)Cc1noc2ccccc12)C1CCNC1
InChIInChI=1S/C16H21N3O2/c1-2-9-19(12-7-8-17-11-12)16(20)10-14-13-5-3-4-6-15(13)21-18-14/h3-6,12,17H,2,7-11H2,1H3
InChIKeyMUHAGDWVAMSRPH-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.97
Rot. Bonds5

About 2-(1,2-benzoxazol-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide

2-(1,2-benzoxazol-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide (PubChem CID 63300924) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
PubChem CID63300924
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
SMILESCCCN(C(=O)Cc1noc2ccccc12)C1CCNC1
InChIInChI=1S/C16H21N3O2/c1-2-9-19(12-7-8-17-11-12)16(20)10-14-13-5-3-4-6-15(13)21-18-14/h3-6,12,17H,2,7-11H2,1H3
InChIKeyMUHAGDWVAMSRPH-UHFFFAOYSA-N
XLogP1.97
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(azetidin-3-yl)-2-(1,2-benzoxazol-3-yl)-N-ethylacetamide
CID 66182098
2-(1,2-benzoxazol-3-yl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119444392
2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532603
2-(1,2-benzoxazol-3-yl)-N-benzyl-N-cyclopropylacetamide
CID 38283022
2-oxo-N-propyl-N-pyrrolidin-3-yl-1H-quinoline-4-carboxamide
CID 119531545
3-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 62367590
2-(3-methylphenyl)-N-propyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94420232
2-(1,2-oxazol-3-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride
CID 91659773
2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 60807367
2-(1,2-benzoxazol-3-yl)-N-butyl-N-(2-chloroethyl)acetamide
CID 63391205
3-methyl-3-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide
CID 119532226
2-oxo-N-propyl-N-pyrrolidin-3-ylchromene-3-carboxamide
CID 119531116

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide (CID 63300924) is 2-(1,2-benzoxazol-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide is CCCN(C(=O)Cc1noc2ccccc12)C1CCNC1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide?
The InChIKey is MUHAGDWVAMSRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-9-19(12-7-8-17-11-12)16(20)10-14-13-5-3-4-6-15(13)21-18-14/h3-6,12,17H,2,7-11H2,1H3.
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide?
2-(1,2-benzoxazol-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide has a molecular weight of 287.36 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 63300924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).