N-[(3R,4S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide

C16H26N4O3 — CID 72890014

IUPACN-[(3R,4S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide
SMILESCc1nc(N2C[C@H](NC(=O)C3CCOCC3)[C@@H](C(C)C)C2)no1
InChIInChI=1S/C16H26N4O3/c1-10(2)13-8-20(16-17-11(3)23-19-16)9-14(13)18-15(21)12-4-6-22-7-5-12/h10,12-14H,4-9H2,1-3H3,(H,18,21)/t13-,14+/m1/s1
InChIKeyNOZNGZRWPFYKLX-KGLIPLIRSA-N
MW322.41 g/mol
LogP1.38
Rot. Bonds4

About N-[(3R,4S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide

N-[(3R,4S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide (PubChem CID 72890014) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(3R,4S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide
PubChem CID72890014
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC NameN-[(3R,4S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide
SMILESCc1nc(N2C[C@H](NC(=O)C3CCOCC3)[C@@H](C(C)C)C2)no1
InChIInChI=1S/C16H26N4O3/c1-10(2)13-8-20(16-17-11(3)23-19-16)9-14(13)18-15(21)12-4-6-22-7-5-12/h10,12-14H,4-9H2,1-3H3,(H,18,21)/t13-,14+/m1/s1
InChIKeyNOZNGZRWPFYKLX-KGLIPLIRSA-N
XLogP1.38
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide?
The IUPAC name of N-[(3R,4S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide (CID 72890014) is N-[(3R,4S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[(3R,4S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide?
The canonical SMILES for N-[(3R,4S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide is Cc1nc(N2C[C@H](NC(=O)C3CCOCC3)[C@@H](C(C)C)C2)no1.
What is the InChIKey of N-[(3R,4S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide?
The InChIKey is NOZNGZRWPFYKLX-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-10(2)13-8-20(16-17-11(3)23-19-16)9-14(13)18-15(21)12-4-6-22-7-5-12/h10,12-14H,4-9H2,1-3H3,(H,18,21)/t13-,14+/m1/s1.
What are the key properties of N-[(3R,4S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide?
N-[(3R,4S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 72890014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).