N-[(3S,4S)-4-(4-cyanophenoxy)oxan-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide

C18H19N3O5 — CID 164642550

IUPACN-[(3S,4S)-4-(4-cyanophenoxy)oxan-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide
SMILESN#Cc1ccc(O[C@H]2CCOC[C@@H]2NC(=O)CCc2cc(=O)[nH]o2)cc1
InChIInChI=1S/C18H19N3O5/c19-10-12-1-3-13(4-2-12)25-16-7-8-24-11-15(16)20-17(22)6-5-14-9-18(23)21-26-14/h1-4,9,15-16H,5-8,11H2,(H,20,22)(H,21,23)/t15-,16-/m0/s1
InChIKeyJINHYCGJNMACPI-HOTGVXAUSA-N
MW357.37 g/mol
LogP1.12
Rot. Bonds6

About N-[(3S,4S)-4-(4-cyanophenoxy)oxan-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide

N-[(3S,4S)-4-(4-cyanophenoxy)oxan-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide (PubChem CID 164642550) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[(3S,4S)-4-(4-cyanophenoxy)oxan-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(4-cyanophenoxy)oxan-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide
PubChem CID164642550
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN-[(3S,4S)-4-(4-cyanophenoxy)oxan-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide
SMILESN#Cc1ccc(O[C@H]2CCOC[C@@H]2NC(=O)CCc2cc(=O)[nH]o2)cc1
InChIInChI=1S/C18H19N3O5/c19-10-12-1-3-13(4-2-12)25-16-7-8-24-11-15(16)20-17(22)6-5-14-9-18(23)21-26-14/h1-4,9,15-16H,5-8,11H2,(H,20,22)(H,21,23)/t15-,16-/m0/s1
InChIKeyJINHYCGJNMACPI-HOTGVXAUSA-N
XLogP1.12
TPSA117.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(4-cyanophenoxy)oxan-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide?
The IUPAC name of N-[(3S,4S)-4-(4-cyanophenoxy)oxan-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide (CID 164642550) is N-[(3S,4S)-4-(4-cyanophenoxy)oxan-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for N-[(3S,4S)-4-(4-cyanophenoxy)oxan-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for N-[(3S,4S)-4-(4-cyanophenoxy)oxan-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide is N#Cc1ccc(O[C@H]2CCOC[C@@H]2NC(=O)CCc2cc(=O)[nH]o2)cc1.
What is the InChIKey of N-[(3S,4S)-4-(4-cyanophenoxy)oxan-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide?
The InChIKey is JINHYCGJNMACPI-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H19N3O5/c19-10-12-1-3-13(4-2-12)25-16-7-8-24-11-15(16)20-17(22)6-5-14-9-18(23)21-26-14/h1-4,9,15-16H,5-8,11H2,(H,20,22)(H,21,23)/t15-,16-/m0/s1.
What are the key properties of N-[(3S,4S)-4-(4-cyanophenoxy)oxan-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide?
N-[(3S,4S)-4-(4-cyanophenoxy)oxan-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide has a molecular weight of 357.37 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-(4-cyanophenoxy)oxan-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 164642550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).