(3Z)-3-[[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-amine

C20H19N3O2 — CID 101110180

IUPAC(3Z)-3-[[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-amine
SMILESCOC[C@@H]1N=C(/C=C2\N=C(N)c3ccccc32)O[C@H]1c1ccccc1
InChIInChI=1S/C20H19N3O2/c1-24-12-17-19(13-7-3-2-4-8-13)25-18(22-17)11-16-14-9-5-6-10-15(14)20(21)23-16/h2-11,17,19H,12H2,1H3,(H2,21,23)/b16-11-/t17-,19-/m0/s1
InChIKeyOANZOIIGOWOGLA-DOJHIJEOSA-N
MW333.39 g/mol
LogP2.93
Rot. Bonds4

About (3Z)-3-[[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-amine

(3Z)-3-[[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-amine (PubChem CID 101110180) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is (3Z)-3-[[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-amine.

Molecular Properties

Compound Name(3Z)-3-[[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-amine
PubChem CID101110180
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name(3Z)-3-[[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-amine
SMILESCOC[C@@H]1N=C(/C=C2\N=C(N)c3ccccc32)O[C@H]1c1ccccc1
InChIInChI=1S/C20H19N3O2/c1-24-12-17-19(13-7-3-2-4-8-13)25-18(22-17)11-16-14-9-5-6-10-15(14)20(21)23-16/h2-11,17,19H,12H2,1H3,(H2,21,23)/b16-11-/t17-,19-/m0/s1
InChIKeyOANZOIIGOWOGLA-DOJHIJEOSA-N
XLogP2.93
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3Z)-3-[[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S,5S)-4-(methoxymethyl)-5-phenyl-2-(3-phenyloxiran-2-yl)-4,5-dihydro-1,3-oxazole
CID 101115518
N-[(Z)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1-(4-methoxyphenyl)ethenyl]aniline
CID 10621723
4-[4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,5-dimethyl-1,2-oxazole
CID 14715377
(4S,5S)-4-(methoxymethyl)-5-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole
CID 10869276
(4S,5S)-2-[(2S)-hexan-2-yl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole
CID 134997019
1-chloro-1-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3-methylbutan-2-ol
CID 10805022
(4S,5S)-4-(methoxymethyl)-5-(4-methylsulfanylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole
CID 11162788
4-ethyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine
CID 118988981
N-[(2R)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]benzenesulfonamide
CID 15319326
(2-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methyl acetate
CID 163623507
4-(methoxymethyl)-2-[1-methyl-4-(2-methylpropyl)cyclohexa-2,4-dien-1-yl]-5-phenyl-4,5-dihydro-1,3-oxazole
CID 19793861
methyl (1R,2R,3S)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3-(4-methoxyphenyl)-2-methylcyclopropane-1-carboxylate
CID 11486656

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-amine?
The IUPAC name of (3Z)-3-[[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-amine (CID 101110180) is (3Z)-3-[[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-amine.
What is the SMILES notation for (3Z)-3-[[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-amine?
The canonical SMILES for (3Z)-3-[[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-amine is COC[C@@H]1N=C(/C=C2\N=C(N)c3ccccc32)O[C@H]1c1ccccc1.
What is the InChIKey of (3Z)-3-[[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-amine?
The InChIKey is OANZOIIGOWOGLA-DOJHIJEOSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-24-12-17-19(13-7-3-2-4-8-13)25-18(22-17)11-16-14-9-5-6-10-15(14)20(21)23-16/h2-11,17,19H,12H2,1H3,(H2,21,23)/b16-11-/t17-,19-/m0/s1.
What are the key properties of (3Z)-3-[[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-amine?
(3Z)-3-[[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-amine has a molecular weight of 333.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-amine is sourced from PubChem (CID 101110180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).