(3S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenoxypyrrolidine-1-carboxamide

C17H20N4O3 — CID 125443249

IUPAC(3S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenoxypyrrolidine-1-carboxamide
SMILESO=C(NCc1nc(C2CC2)no1)N1CC[C@H](Oc2ccccc2)C1
InChIInChI=1S/C17H20N4O3/c22-17(18-10-15-19-16(20-24-15)12-6-7-12)21-9-8-14(11-21)23-13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H,18,22)/t14-/m0/s1
InChIKeyJXXGKIGFQNBUJA-AWEZNQCLSA-N
MW328.37 g/mol
LogP2.31
Rot. Bonds5

About (3S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenoxypyrrolidine-1-carboxamide

(3S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenoxypyrrolidine-1-carboxamide (PubChem CID 125443249) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is (3S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenoxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenoxypyrrolidine-1-carboxamide
PubChem CID125443249
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name(3S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenoxypyrrolidine-1-carboxamide
SMILESO=C(NCc1nc(C2CC2)no1)N1CC[C@H](Oc2ccccc2)C1
InChIInChI=1S/C17H20N4O3/c22-17(18-10-15-19-16(20-24-15)12-6-7-12)21-9-8-14(11-21)23-13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H,18,22)/t14-/m0/s1
InChIKeyJXXGKIGFQNBUJA-AWEZNQCLSA-N
XLogP2.31
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylmorpholine-4-carboxamide
CID 96562539
(3R)-N-benzyl-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxamide
CID 95990869
N-benzyl-3-[5-(phenylmethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
CID 91907968
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide
CID 90641714
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 90641715
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyaniline
CID 51121599
1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-phenylpropan-1-one
CID 87053136
methyl 3-phenoxypyrrolidine-1-carboxylate
CID 58171478
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-methylpiperidine-1-carboxamide
CID 163339507
3-phenoxy-N-(2-propan-2-ylsulfanylethyl)pyrrolidine-1-carboxamide
CID 122561495
3-phenoxy-N-(3-pyridin-2-ylpropyl)pyrrolidine-1-carboxamide
CID 121499854
2-phenoxy-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 121021978

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenoxypyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenoxypyrrolidine-1-carboxamide (CID 125443249) is (3S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenoxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenoxypyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenoxypyrrolidine-1-carboxamide is O=C(NCc1nc(C2CC2)no1)N1CC[C@H](Oc2ccccc2)C1.
What is the InChIKey of (3S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenoxypyrrolidine-1-carboxamide?
The InChIKey is JXXGKIGFQNBUJA-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-17(18-10-15-19-16(20-24-15)12-6-7-12)21-9-8-14(11-21)23-13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H,18,22)/t14-/m0/s1.
What are the key properties of (3S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenoxypyrrolidine-1-carboxamide?
(3S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenoxypyrrolidine-1-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenoxypyrrolidine-1-carboxamide is sourced from PubChem (CID 125443249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).