3-(1,3-dihydroisoindol-2-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide

C20H25N3O3 — CID 72852134

IUPAC3-(1,3-dihydroisoindol-2-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide
SMILESCc1cc(C[C@@H]2COC[C@@H]2NC(=O)CCN2Cc3ccccc3C2)on1
InChIInChI=1S/C20H25N3O3/c1-14-8-18(26-22-14)9-17-12-25-13-19(17)21-20(24)6-7-23-10-15-4-2-3-5-16(15)11-23/h2-5,8,17,19H,6-7,9-13H2,1H3,(H,21,24)/t17-,19+/m1/s1
InChIKeyOQDORFISTOAUIG-MJGOQNOKSA-N
MW355.44 g/mol
LogP2.06
Rot. Bonds6

About 3-(1,3-dihydroisoindol-2-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide

3-(1,3-dihydroisoindol-2-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide (PubChem CID 72852134) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-(1,3-dihydroisoindol-2-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide.

Molecular Properties

Compound Name3-(1,3-dihydroisoindol-2-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide
PubChem CID72852134
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name3-(1,3-dihydroisoindol-2-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide
SMILESCc1cc(C[C@@H]2COC[C@@H]2NC(=O)CCN2Cc3ccccc3C2)on1
InChIInChI=1S/C20H25N3O3/c1-14-8-18(26-22-14)9-17-12-25-13-19(17)21-20(24)6-7-23-10-15-4-2-3-5-16(15)11-23/h2-5,8,17,19H,6-7,9-13H2,1H3,(H,21,24)/t17-,19+/m1/s1
InChIKeyOQDORFISTOAUIG-MJGOQNOKSA-N
XLogP2.06
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydroisoindol-2-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide?
The IUPAC name of 3-(1,3-dihydroisoindol-2-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide (CID 72852134) is 3-(1,3-dihydroisoindol-2-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide.
What is the SMILES notation for 3-(1,3-dihydroisoindol-2-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide?
The canonical SMILES for 3-(1,3-dihydroisoindol-2-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide is Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)CCN2Cc3ccccc3C2)on1.
What is the InChIKey of 3-(1,3-dihydroisoindol-2-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide?
The InChIKey is OQDORFISTOAUIG-MJGOQNOKSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14-8-18(26-22-14)9-17-12-25-13-19(17)21-20(24)6-7-23-10-15-4-2-3-5-16(15)11-23/h2-5,8,17,19H,6-7,9-13H2,1H3,(H,21,24)/t17-,19+/m1/s1.
What are the key properties of 3-(1,3-dihydroisoindol-2-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide?
3-(1,3-dihydroisoindol-2-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide has a molecular weight of 355.44 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydroisoindol-2-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide is sourced from PubChem (CID 72852134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).