N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride

C19H20ClN3O3 — CID 171708243

IUPACN-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
SMILESCl.O=C(Nc1ccc2[nH]c(=O)oc2c1)c1cccc(CC2CCNC2)c1
InChIInChI=1S/C19H19N3O3.ClH/c23-18(21-15-4-5-16-17(10-15)25-19(24)22-16)14-3-1-2-12(9-14)8-13-6-7-20-11-13;/h1-5,9-10,13,20H,6-8,11H2,(H,21,23)(H,22,24);1H
InChIKeyXVCZTCCEAUVSMC-UHFFFAOYSA-N
MW373.84 g/mol
LogP2.95
Rot. Bonds4

About N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride

N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride (PubChem CID 171708243) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
PubChem CID171708243
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC NameN-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
SMILESCl.O=C(Nc1ccc2[nH]c(=O)oc2c1)c1cccc(CC2CCNC2)c1
InChIInChI=1S/C19H19N3O3.ClH/c23-18(21-15-4-5-16-17(10-15)25-19(24)22-16)14-3-1-2-12(9-14)8-13-6-7-20-11-13;/h1-5,9-10,13,20H,6-8,11H2,(H,21,23)(H,22,24);1H
InChIKeyXVCZTCCEAUVSMC-UHFFFAOYSA-N
XLogP2.95
TPSA87.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylbenzotriazol-5-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
CID 171709502
N-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-4-carboxamide
CID 110837964
2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 10111406
N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
CID 171712571
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-1H-indole-5-carboxamide
CID 112523027
N-(3-methyl-2-pyridinyl)-3-(pyrrolidin-3-ylmethyl)benzamide
CID 166616860
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3H-benzimidazole-5-carboxamide
CID 110662054
4-bromo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzamide
CID 50797084
methyl 3-[(2-oxo-3H-1,3-benzoxazole-6-carbonyl)amino]benzoate
CID 110766421
methyl 1-methyl-5-[[3-(pyrrolidin-3-ylmethyl)benzoyl]amino]pyrazole-4-carboxylate;hydrochloride
CID 171710874
4-chloro-N-[4-[[(3R)-pyrrolidin-3-yl]methyl]phenyl]benzamide
CID 124566275
3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37091487

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride?
The IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride (CID 171708243) is N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride is Cl.O=C(Nc1ccc2[nH]c(=O)oc2c1)c1cccc(CC2CCNC2)c1.
What is the InChIKey of N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride?
The InChIKey is XVCZTCCEAUVSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3.ClH/c23-18(21-15-4-5-16-17(10-15)25-19(24)22-16)14-3-1-2-12(9-14)8-13-6-7-20-11-13;/h1-5,9-10,13,20H,6-8,11H2,(H,21,23)(H,22,24);1H.
What are the key properties of N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride?
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride has a molecular weight of 373.84 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 171708243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).