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

C17H23N3O3 — CID 126772645

IUPAC3-(2-oxo-1,3-benzoxazol-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide
SMILESCCCN(C(=O)CCn1c(=O)oc2ccccc21)C1CCNC1
InChIInChI=1S/C17H23N3O3/c1-2-10-19(13-7-9-18-12-13)16(21)8-11-20-14-5-3-4-6-15(14)23-17(20)22/h3-6,13,18H,2,7-12H2,1H3
InChIKeyQMUDKUXVQKRMBO-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.59
Rot. Bonds6

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

3-(2-oxo-1,3-benzoxazol-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide (PubChem CID 126772645) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-(2-oxo-1,3-benzoxazol-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound Name3-(2-oxo-1,3-benzoxazol-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide
PubChem CID126772645
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name3-(2-oxo-1,3-benzoxazol-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide
SMILESCCCN(C(=O)CCn1c(=O)oc2ccccc21)C1CCNC1
InChIInChI=1S/C17H23N3O3/c1-2-10-19(13-7-9-18-12-13)16(21)8-11-20-14-5-3-4-6-15(14)23-17(20)22/h3-6,13,18H,2,7-12H2,1H3
InChIKeyQMUDKUXVQKRMBO-UHFFFAOYSA-N
XLogP1.59
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1,1-dioxothiolan-3-yl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide
CID 92546617
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide
CID 119824718
3-(2,4-dioxoquinazolin-1-yl)-N-piperidin-4-yl-N-propylpropanamide
CID 119824520
3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119532014
3-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 62367590
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119530272
2-oxo-N-propyl-N-pyrrolidin-3-ylchromene-3-carboxamide
CID 119531116
2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532603
3-(2-piperidin-4-ylethyl)-1,3-benzoxazol-2-one
CID 61345343
N-propyl-N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide
CID 60806180
3-[cyclopropyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]propanoic acid
CID 60838868
3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 82177257

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide (CID 126772645) is 3-(2-oxo-1,3-benzoxazol-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide is CCCN(C(=O)CCn1c(=O)oc2ccccc21)C1CCNC1.
What is the InChIKey of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide?
The InChIKey is QMUDKUXVQKRMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-2-10-19(13-7-9-18-12-13)16(21)8-11-20-14-5-3-4-6-15(14)23-17(20)22/h3-6,13,18H,2,7-12H2,1H3.
What are the key properties of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide?
3-(2-oxo-1,3-benzoxazol-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide has a molecular weight of 317.39 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 126772645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).