N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-1-carboxamide

C16H20N4O2 — CID 52865743

IUPACN-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-1-carboxamide
SMILESCC(C)c1noc(-c2ccc(NC(=O)N3CCCC3)cc2)n1
InChIInChI=1S/C16H20N4O2/c1-11(2)14-18-15(22-19-14)12-5-7-13(8-6-12)17-16(21)20-9-3-4-10-20/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,21)
InChIKeyJAXZPIIRXMUSQR-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.49
Rot. Bonds3

About N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-1-carboxamide

N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 52865743) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-1-carboxamide
PubChem CID52865743
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-1-carboxamide
SMILESCC(C)c1noc(-c2ccc(NC(=O)N3CCCC3)cc2)n1
InChIInChI=1S/C16H20N4O2/c1-11(2)14-18-15(22-19-14)12-5-7-13(8-6-12)17-16(21)20-9-3-4-10-20/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,21)
InChIKeyJAXZPIIRXMUSQR-UHFFFAOYSA-N
XLogP3.49
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-propan-2-yl-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea
CID 56825456
4-methyl-2-propan-2-yl-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazine-1-carboxamide
CID 126770840
1-(1-hydroxypropan-2-yl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea
CID 110933057
1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea
CID 56518671
1-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea
CID 56518932
1-ethyl-1-(2-hydroxyethyl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea
CID 110933059
N-[4-[4-[(1R)-1-aminoethyl]phenyl]phenyl]pyrrolidine-1-carboxamide
CID 172895010
1-[4-(3-methylpiperidin-1-yl)butyl]-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea
CID 56518673
4-[ethyl(methyl)amino]-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 86886639
1-[1-(2,6-difluorophenyl)propan-2-yl]-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea
CID 56520338
2-methyl-5-methylsulfonyl-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 166182879
4-methoxy-N-[2-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamoylamino]ethyl]benzamide
CID 56518542

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-1-carboxamide (CID 52865743) is N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-1-carboxamide is CC(C)c1noc(-c2ccc(NC(=O)N3CCCC3)cc2)n1.
What is the InChIKey of N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is JAXZPIIRXMUSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11(2)14-18-15(22-19-14)12-5-7-13(8-6-12)17-16(21)20-9-3-4-10-20/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,21).
What are the key properties of N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-1-carboxamide?
N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 52865743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).