5-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide

C15H16ClN3O2 — CID 119513121

IUPAC5-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCCN1)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C15H16ClN3O2/c16-11-5-3-10(4-6-11)14-8-13(19-21-14)15(20)18-9-12-2-1-7-17-12/h3-6,8,12,17H,1-2,7,9H2,(H,18,20)
InChIKeyBETMXGBTTSVZRT-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.48
Rot. Bonds4

About 5-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide

5-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 119513121) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID119513121
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name5-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCCN1)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C15H16ClN3O2/c16-11-5-3-10(4-6-11)14-8-13(19-21-14)15(20)18-9-12-2-1-7-17-12/h3-6,8,12,17H,1-2,7,9H2,(H,18,20)
InChIKeyBETMXGBTTSVZRT-UHFFFAOYSA-N
XLogP2.48
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-chlorothiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 119510511
5-(4-chlorophenyl)-N-cyclohexyl-1,2-oxazole-3-carboxamide
CID 17252724
5-[(2,6-dichlorophenoxy)methyl]-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 119514912
N-[(1-aminocyclobutyl)methyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 155820442
N-(2-amino-2-methylpropyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 119629061
5-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119447808
5-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 99599447
N-(cyclobutylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 33379552
2-bromo-4-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 103806355
5-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 119507911
5-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 1093775
5-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 3241430

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide (CID 119513121) is 5-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide is O=C(NCC1CCCN1)c1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is BETMXGBTTSVZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-11-5-3-10(4-6-11)14-8-13(19-21-14)15(20)18-9-12-2-1-7-17-12/h3-6,8,12,17H,1-2,7,9H2,(H,18,20).
What are the key properties of 5-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide?
5-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 305.76 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 119513121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).