N-[[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide

C16H19N5O3 — CID 120838595

IUPACN-[[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(Cc1noc(CNC(=O)C2CCCN2)n1)Nc1ccccc1
InChIInChI=1S/C16H19N5O3/c22-14(19-11-5-2-1-3-6-11)9-13-20-15(24-21-13)10-18-16(23)12-7-4-8-17-12/h1-3,5-6,12,17H,4,7-10H2,(H,18,23)(H,19,22)
InChIKeyKVOWIXSUBGSHHV-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.62
Rot. Bonds6

About N-[[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide

N-[[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 120838595) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID120838595
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC NameN-[[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(Cc1noc(CNC(=O)C2CCCN2)n1)Nc1ccccc1
InChIInChI=1S/C16H19N5O3/c22-14(19-11-5-2-1-3-6-11)9-13-20-15(24-21-13)10-18-16(23)12-7-4-8-17-12/h1-3,5-6,12,17H,4,7-10H2,(H,18,23)(H,19,22)
InChIKeyKVOWIXSUBGSHHV-UHFFFAOYSA-N
XLogP0.62
TPSA109.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

N-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120836353
N-[[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120841331
N-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
CID 120893632
N-(3-anilino-3-oxopropyl)piperidine-2-carboxamide;hydrochloride
CID 119324861
N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120836094
(2R)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119840711
N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120837799
N-[[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120841285
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120837950
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutanecarboxamide
CID 47437849

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide (CID 120838595) is N-[[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide is O=C(Cc1noc(CNC(=O)C2CCCN2)n1)Nc1ccccc1.
What is the InChIKey of N-[[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is KVOWIXSUBGSHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c22-14(19-11-5-2-1-3-6-11)9-13-20-15(24-21-13)10-18-16(23)12-7-4-8-17-12/h1-3,5-6,12,17H,4,7-10H2,(H,18,23)(H,19,22).
What are the key properties of N-[[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide?
N-[[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 120838595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).