N-[(3S,4R)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-oxo-1,2-oxazole-5-carboxamide

C16H23N3O4 — CID 133129754

IUPACN-[(3S,4R)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-oxo-1,2-oxazole-5-carboxamide
SMILESO=C(N[C@@H]1CN(C2CCOCC2)C[C@H]1C1CC1)c1cc(=O)[nH]o1
InChIInChI=1S/C16H23N3O4/c20-15-7-14(23-18-15)16(21)17-13-9-19(8-12(13)10-1-2-10)11-3-5-22-6-4-11/h7,10-13H,1-6,8-9H2,(H,17,21)(H,18,20)/t12-,13+/m0/s1
InChIKeyOJMKJUXBFFZTFA-QWHCGFSZSA-N
MW321.38 g/mol
LogP0.59
Rot. Bonds4

About N-[(3S,4R)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-oxo-1,2-oxazole-5-carboxamide

N-[(3S,4R)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-oxo-1,2-oxazole-5-carboxamide (PubChem CID 133129754) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[(3S,4R)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-oxo-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-oxo-1,2-oxazole-5-carboxamide
PubChem CID133129754
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC NameN-[(3S,4R)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-oxo-1,2-oxazole-5-carboxamide
SMILESO=C(N[C@@H]1CN(C2CCOCC2)C[C@H]1C1CC1)c1cc(=O)[nH]o1
InChIInChI=1S/C16H23N3O4/c20-15-7-14(23-18-15)16(21)17-13-9-19(8-12(13)10-1-2-10)11-3-5-22-6-4-11/h7,10-13H,1-6,8-9H2,(H,17,21)(H,18,20)/t12-,13+/m0/s1
InChIKeyOJMKJUXBFFZTFA-QWHCGFSZSA-N
XLogP0.59
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-oxo-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-oxo-1,2-oxazole-5-carboxamide (CID 133129754) is N-[(3S,4R)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-oxo-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-oxo-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-oxo-1,2-oxazole-5-carboxamide is O=C(N[C@@H]1CN(C2CCOCC2)C[C@H]1C1CC1)c1cc(=O)[nH]o1.
What is the InChIKey of N-[(3S,4R)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-oxo-1,2-oxazole-5-carboxamide?
The InChIKey is OJMKJUXBFFZTFA-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H23N3O4/c20-15-7-14(23-18-15)16(21)17-13-9-19(8-12(13)10-1-2-10)11-3-5-22-6-4-11/h7,10-13H,1-6,8-9H2,(H,17,21)(H,18,20)/t12-,13+/m0/s1.
What are the key properties of N-[(3S,4R)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-oxo-1,2-oxazole-5-carboxamide?
N-[(3S,4R)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-oxo-1,2-oxazole-5-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-oxo-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 133129754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).