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

C16H23N3O3 — CID 72909766

IUPACN-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@H]1CN(C2CCOCC2)C[C@@H]1C1CC1)c1ccon1
InChIInChI=1S/C16H23N3O3/c20-16(14-5-8-22-18-14)17-15-10-19(9-13(15)11-1-2-11)12-3-6-21-7-4-12/h5,8,11-13,15H,1-4,6-7,9-10H2,(H,17,20)/t13-,15+/m1/s1
InChIKeyANBHDHDDMDXVGI-HIFRSBDPSA-N
MW305.38 g/mol
LogP1.29
Rot. Bonds4

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

N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 72909766) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID72909766
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@H]1CN(C2CCOCC2)C[C@@H]1C1CC1)c1ccon1
InChIInChI=1S/C16H23N3O3/c20-16(14-5-8-22-18-14)17-15-10-19(9-13(15)11-1-2-11)12-3-6-21-7-4-12/h5,8,11-13,15H,1-4,6-7,9-10H2,(H,17,20)/t13-,15+/m1/s1
InChIKeyANBHDHDDMDXVGI-HIFRSBDPSA-N
XLogP1.29
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (CID 72909766) is N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is O=C(N[C@H]1CN(C2CCOCC2)C[C@@H]1C1CC1)c1ccon1.
What is the InChIKey of N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is ANBHDHDDMDXVGI-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H23N3O3/c20-16(14-5-8-22-18-14)17-15-10-19(9-13(15)11-1-2-11)12-3-6-21-7-4-12/h5,8,11-13,15H,1-4,6-7,9-10H2,(H,17,20)/t13-,15+/m1/s1.
What are the key properties of N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 72909766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).