1-(1,3-benzoxazol-2-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide

C17H21N3O3 — CID 171994540

IUPAC1-(1,3-benzoxazol-2-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CCOCC1)C1CCN(c2nc3ccccc3o2)C1
InChIInChI=1S/C17H21N3O3/c21-16(18-13-6-9-22-10-7-13)12-5-8-20(11-12)17-19-14-3-1-2-4-15(14)23-17/h1-4,12-13H,5-11H2,(H,18,21)
InChIKeyZTVOOYSHSJPFKZ-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.95
Rot. Bonds3

About 1-(1,3-benzoxazol-2-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide

1-(1,3-benzoxazol-2-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide (PubChem CID 171994540) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide
PubChem CID171994540
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CCOCC1)C1CCN(c2nc3ccccc3o2)C1
InChIInChI=1S/C17H21N3O3/c21-16(18-13-6-9-22-10-7-13)12-5-8-20(11-12)17-19-14-3-1-2-4-15(14)23-17/h1-4,12-13H,5-11H2,(H,18,21)
InChIKeyZTVOOYSHSJPFKZ-UHFFFAOYSA-N
XLogP1.95
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-cyclobutylpiperidine-3-carboxamide
CID 26324983
1-(1-methylbenzimidazol-2-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide
CID 171994514
1-(6-chloro-1,3-benzoxazol-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide
CID 154822947
1-(1,3-benzoxazol-2-yl)-N-(1-ethylpiperidin-4-yl)piperidine-4-carboxamide
CID 42014957
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
(3S)-1-(1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
CID 51373554
1-(3-chloro-2-pyridinyl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide
CID 171992660
[1-(1,3-benzoxazol-2-yl)pyrrolidin-3-yl]methanol
CID 62371883
[1-(1,3-benzoxazol-2-yl)pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 165435396
1-(1,3-benzoxazol-2-yl)-N-benzylpiperidine-3-carboxamide
CID 3622789
1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)piperidine-4-carboxamide
CID 4082568
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 3415222

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide (CID 171994540) is 1-(1,3-benzoxazol-2-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide is O=C(NC1CCOCC1)C1CCN(c2nc3ccccc3o2)C1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is ZTVOOYSHSJPFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-16(18-13-6-9-22-10-7-13)12-5-8-20(11-12)17-19-14-3-1-2-4-15(14)23-17/h1-4,12-13H,5-11H2,(H,18,21).
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 171994540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).