N-[[(2R)-oxolan-2-yl]methyl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide

C19H20N4O3 — CID 95094168

IUPACN-[[(2R)-oxolan-2-yl]methyl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1cccn1Cc1noc(-c2ccccc2)n1
InChIInChI=1S/C19H20N4O3/c24-18(20-12-15-8-5-11-25-15)16-9-4-10-23(16)13-17-21-19(26-22-17)14-6-2-1-3-7-14/h1-4,6-7,9-10,15H,5,8,11-13H2,(H,20,24)/t15-/m1/s1
InChIKeyUETDFVYHIQPRDK-OAHLLOKOSA-N
MW352.39 g/mol
LogP2.50
Rot. Bonds6

About N-[[(2R)-oxolan-2-yl]methyl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide

N-[[(2R)-oxolan-2-yl]methyl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide (PubChem CID 95094168) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide
PubChem CID95094168
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1cccn1Cc1noc(-c2ccccc2)n1
InChIInChI=1S/C19H20N4O3/c24-18(20-12-15-8-5-11-25-15)16-9-4-10-23(16)13-17-21-19(26-22-17)14-6-2-1-3-7-14/h1-4,6-7,9-10,15H,5,8,11-13H2,(H,20,24)/t15-/m1/s1
InChIKeyUETDFVYHIQPRDK-OAHLLOKOSA-N
XLogP2.50
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(oxolan-2-ylmethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829235
1-benzyl-N-[2-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide
CID 95934905
(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 129416913
5-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
CID 127266585
N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093732
1-(2-methoxyethyl)-1-(oxolan-2-ylmethyl)-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 121497075
N-(oxolan-2-ylmethyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62716770
N-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 50985207
N-[(2R)-butan-2-yl]-1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrole-2-carboxamide
CID 95094169
N-(oxolan-2-ylmethyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 133159030
N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 686682
3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 53130446

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide (CID 95094168) is N-[[(2R)-oxolan-2-yl]methyl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide is O=C(NC[C@H]1CCCO1)c1cccn1Cc1noc(-c2ccccc2)n1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide?
The InChIKey is UETDFVYHIQPRDK-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-18(20-12-15-8-5-11-25-15)16-9-4-10-23(16)13-17-21-19(26-22-17)14-6-2-1-3-7-14/h1-4,6-7,9-10,15H,5,8,11-13H2,(H,20,24)/t15-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide?
N-[[(2R)-oxolan-2-yl]methyl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 95094168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).