4-(1,3-benzoxazol-5-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide

C22H23N3O3 — CID 119067501

IUPAC4-(1,3-benzoxazol-5-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide
SMILESO=C(N[C@H]1COC[C@@H]1N1CCCC1)c1ccc(-c2ccc3ocnc3c2)cc1
InChIInChI=1S/C22H23N3O3/c26-22(24-19-12-27-13-20(19)25-9-1-2-10-25)16-5-3-15(4-6-16)17-7-8-21-18(11-17)23-14-28-21/h3-8,11,14,19-20H,1-2,9-10,12-13H2,(H,24,26)/t19-,20-/m0/s1
InChIKeyLSPLYEFQRNZOIX-PMACEKPBSA-N
MW377.44 g/mol
LogP3.09
Rot. Bonds4

About 4-(1,3-benzoxazol-5-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide

4-(1,3-benzoxazol-5-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide (PubChem CID 119067501) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-5-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide.

Molecular Properties

Compound Name4-(1,3-benzoxazol-5-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide
PubChem CID119067501
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name4-(1,3-benzoxazol-5-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide
SMILESO=C(N[C@H]1COC[C@@H]1N1CCCC1)c1ccc(-c2ccc3ocnc3c2)cc1
InChIInChI=1S/C22H23N3O3/c26-22(24-19-12-27-13-20(19)25-9-1-2-10-25)16-5-3-15(4-6-16)17-7-8-21-18(11-17)23-14-28-21/h3-8,11,14,19-20H,1-2,9-10,12-13H2,(H,24,26)/t19-,20-/m0/s1
InChIKeyLSPLYEFQRNZOIX-PMACEKPBSA-N
XLogP3.09
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(1,3-benzoxazol-5-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide with MolForge

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Related Compounds

6-oxo-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-1H-pyridine-3-carboxamide
CID 133260544
5-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1,3-oxazole-4-carboxamide
CID 122559298
4-(6-oxo-1H-pyridin-2-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]benzamide
CID 119060191
6-cyano-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyridine-3-carboxamide
CID 91843333
3-(2-aminoethoxy)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide
CID 119070601
5-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1,2-oxazole-3-carboxamide
CID 122556576
3-methoxy-5-[[(3R,4R)-4-piperidin-1-yloxolan-3-yl]carbamoyl]benzoic acid
CID 118772644
acetic acid;4-(2-aminoethoxy)-3-methoxy-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide
CID 154903690
3-pyrazolo[1,5-a]pyridin-3-yl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide
CID 122570409
N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 91829063
2-cyano-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide
CID 118781498
5-acetyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]thiophene-2-carboxamide
CID 91789169

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-5-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide?
The IUPAC name of 4-(1,3-benzoxazol-5-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide (CID 119067501) is 4-(1,3-benzoxazol-5-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide.
What is the SMILES notation for 4-(1,3-benzoxazol-5-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide?
The canonical SMILES for 4-(1,3-benzoxazol-5-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide is O=C(N[C@H]1COC[C@@H]1N1CCCC1)c1ccc(-c2ccc3ocnc3c2)cc1.
What is the InChIKey of 4-(1,3-benzoxazol-5-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide?
The InChIKey is LSPLYEFQRNZOIX-PMACEKPBSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-22(24-19-12-27-13-20(19)25-9-1-2-10-25)16-5-3-15(4-6-16)17-7-8-21-18(11-17)23-14-28-21/h3-8,11,14,19-20H,1-2,9-10,12-13H2,(H,24,26)/t19-,20-/m0/s1.
What are the key properties of 4-(1,3-benzoxazol-5-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide?
4-(1,3-benzoxazol-5-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide has a molecular weight of 377.44 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-5-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide is sourced from PubChem (CID 119067501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).