N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-imidazol-1-ylpropanamide

C12H19N3O3 — CID 122557149

IUPACN-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-imidazol-1-ylpropanamide
SMILESCCO[C@H]1COC[C@@H]1NC(=O)CCn1ccnc1
InChIInChI=1S/C12H19N3O3/c1-2-18-11-8-17-7-10(11)14-12(16)3-5-15-6-4-13-9-15/h4,6,9-11H,2-3,5,7-8H2,1H3,(H,14,16)/t10-,11-/m0/s1
InChIKeyIYPGGJYMLMLJLK-QWRGUYRKSA-N
MW253.30 g/mol
LogP0.19
Rot. Bonds6

About N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-imidazol-1-ylpropanamide

N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-imidazol-1-ylpropanamide (PubChem CID 122557149) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-imidazol-1-ylpropanamide
PubChem CID122557149
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-imidazol-1-ylpropanamide
SMILESCCO[C@H]1COC[C@@H]1NC(=O)CCn1ccnc1
InChIInChI=1S/C12H19N3O3/c1-2-18-11-8-17-7-10(11)14-12(16)3-5-15-6-4-13-9-15/h4,6,9-11H,2-3,5,7-8H2,1H3,(H,14,16)/t10-,11-/m0/s1
InChIKeyIYPGGJYMLMLJLK-QWRGUYRKSA-N
XLogP0.19
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-imidazol-1-ylpropanamide?
The IUPAC name of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-imidazol-1-ylpropanamide (CID 122557149) is N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-imidazol-1-ylpropanamide.
What is the SMILES notation for N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-imidazol-1-ylpropanamide?
The canonical SMILES for N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-imidazol-1-ylpropanamide is CCO[C@H]1COC[C@@H]1NC(=O)CCn1ccnc1.
What is the InChIKey of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-imidazol-1-ylpropanamide?
The InChIKey is IYPGGJYMLMLJLK-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-2-18-11-8-17-7-10(11)14-12(16)3-5-15-6-4-13-9-15/h4,6,9-11H,2-3,5,7-8H2,1H3,(H,14,16)/t10-,11-/m0/s1.
What are the key properties of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-imidazol-1-ylpropanamide?
N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-imidazol-1-ylpropanamide has a molecular weight of 253.30 g/mol, XLogP of 0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-imidazol-1-ylpropanamide is sourced from PubChem (CID 122557149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).