3-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride

C16H19Cl2N3O3 — CID 120948034

IUPAC3-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NCC1CNCC1O.Cl
InChIInChI=1S/C16H18ClN3O3.ClH/c1-9-14(16(22)19-7-10-6-18-8-13(10)21)15(20-23-9)11-4-2-3-5-12(11)17;/h2-5,10,13,18,21H,6-8H2,1H3,(H,19,22);1H
InChIKeyZLQORKJJMFCEBA-UHFFFAOYSA-N
MW372.25 g/mol
LogP2.04
Rot. Bonds4

About 3-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride

3-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride (PubChem CID 120948034) has the molecular formula C16H19Cl2N3O3 and a molecular weight of 372.25 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride
PubChem CID120948034
Molecular FormulaC16H19Cl2N3O3
Molecular Weight372.25 g/mol
Exact Mass371.08
IUPAC Name3-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NCC1CNCC1O.Cl
InChIInChI=1S/C16H18ClN3O3.ClH/c1-9-14(16(22)19-7-10-6-18-8-13(10)21)15(20-23-9)11-4-2-3-5-12(11)17;/h2-5,10,13,18,21H,6-8H2,1H3,(H,19,22);1H
InChIKeyZLQORKJJMFCEBA-UHFFFAOYSA-N
XLogP2.04
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.25
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenyl)-5-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 119462319
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CID 4182103
3-(2-chlorophenyl)-N-[3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4102292
N-(2-amino-2-methylpropyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119628283
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CID 111539535
N-(3-amino-2-methylpropyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride
CID 119998048
N-(2-amino-2-ethylbutyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride
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CID 1009220
3-(2-chlorophenyl)-5-methyl-N-undecyl-1,2-oxazole-4-carboxamide
CID 4127168
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 16919370
3-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 121111972
3-(2-chlorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride?
The IUPAC name of 3-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride (CID 120948034) is 3-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride?
The canonical SMILES for 3-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride is Cc1onc(-c2ccccc2Cl)c1C(=O)NCC1CNCC1O.Cl.
What is the InChIKey of 3-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride?
The InChIKey is ZLQORKJJMFCEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3.ClH/c1-9-14(16(22)19-7-10-6-18-8-13(10)21)15(20-23-9)11-4-2-3-5-12(11)17;/h2-5,10,13,18,21H,6-8H2,1H3,(H,19,22);1H.
What are the key properties of 3-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride?
3-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride has a molecular weight of 372.25 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120948034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).