N-phenyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole-5-carboxamide;hydrochloride

C15H18ClN3O3 — CID 155529784

IUPACN-phenyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole-5-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1)c1cc(OC[C@@H]2CCCN2)no1
InChIInChI=1S/C15H17N3O3.ClH/c19-15(17-11-5-2-1-3-6-11)13-9-14(18-21-13)20-10-12-7-4-8-16-12;/h1-3,5-6,9,12,16H,4,7-8,10H2,(H,17,19);1H/t12-;/m0./s1
InChIKeyZXGCJVGGSQRQCW-YDALLXLXSA-N
MW323.78 g/mol
LogP2.48
Rot. Bonds5

About N-phenyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole-5-carboxamide;hydrochloride

N-phenyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole-5-carboxamide;hydrochloride (PubChem CID 155529784) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is N-phenyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-phenyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole-5-carboxamide;hydrochloride
PubChem CID155529784
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC NameN-phenyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole-5-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1)c1cc(OC[C@@H]2CCCN2)no1
InChIInChI=1S/C15H17N3O3.ClH/c19-15(17-11-5-2-1-3-6-11)13-9-14(18-21-13)20-10-12-7-4-8-16-12;/h1-3,5-6,9,12,16H,4,7-8,10H2,(H,17,19);1H/t12-;/m0./s1
InChIKeyZXGCJVGGSQRQCW-YDALLXLXSA-N
XLogP2.48
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroindol-1-yl-[3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanone;hydrochloride
CID 155540406
5-(phenoxymethyl)-3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-oxazole;hydrochloride
CID 155565755
N-[[(5S)-3-[3-fluoro-4-[4-(3-methoxy-1,2-oxazole-5-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15541040
N-[[(5S)-3-[3-fluoro-4-[4-[3-(2-fluoroethoxy)-1,2-oxazole-5-carbonyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15541041
N-(2-(4-fluorophenoxy)ethyl)-3-methoxyisoxazole-5-carboxamide
CID 71802433
3-(benzyloxy)-N-(2-(cyclohex-1-en-1-yl)ethyl)isoxazole-5-carboxamide
CID 71802492
phenyl 3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole-5-carboxylate;hydrochloride
CID 155535696
3-methoxy-N-(4-phenoxyphenyl)isoxazole-5-carboxamide
CID 71802456
2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(4-piperidin-1-ylphenyl)acetamide
CID 17396381
N-[4-(dimethylamino)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 17410880
3-methoxy-N-(2,3,4-trifluorophenyl)isoxazole-5-carboxamide
CID 71802473
N-(3-Chloro-4-fluorophenyl)-3-(3-pyrrolidin-1-ylpropoxy)isoxazole-5-carboxamide
CID 58332219

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole-5-carboxamide;hydrochloride?
The IUPAC name of N-phenyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole-5-carboxamide;hydrochloride (CID 155529784) is N-phenyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-phenyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-phenyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole-5-carboxamide;hydrochloride is Cl.O=C(Nc1ccccc1)c1cc(OC[C@@H]2CCCN2)no1.
What is the InChIKey of N-phenyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole-5-carboxamide;hydrochloride?
The InChIKey is ZXGCJVGGSQRQCW-YDALLXLXSA-N. The full InChI is InChI=1S/C15H17N3O3.ClH/c19-15(17-11-5-2-1-3-6-11)13-9-14(18-21-13)20-10-12-7-4-8-16-12;/h1-3,5-6,9,12,16H,4,7-8,10H2,(H,17,19);1H/t12-;/m0./s1.
What are the key properties of N-phenyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole-5-carboxamide;hydrochloride?
N-phenyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole-5-carboxamide;hydrochloride has a molecular weight of 323.78 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 155529784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).