[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone

C19H22N2O4 — CID 95286989

IUPAC[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc2c(c1)OC[C@@H](C(=O)N1CCC[C@@H]1c1cc(C)on1)C2
InChIInChI=1S/C19H22N2O4/c1-12-8-16(20-25-12)17-4-3-7-21(17)19(22)14-9-13-5-6-15(23-2)10-18(13)24-11-14/h5-6,8,10,14,17H,3-4,7,9,11H2,1-2H3/t14-,17+/m0/s1
InChIKeyJFXJOMXRZGLGCN-WMLDXEAASA-N
MW342.40 g/mol
LogP2.91
Rot. Bonds3

About [(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone

[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 95286989) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is [(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID95286989
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc2c(c1)OC[C@@H](C(=O)N1CCC[C@@H]1c1cc(C)on1)C2
InChIInChI=1S/C19H22N2O4/c1-12-8-16(20-25-12)17-4-3-7-21(17)19(22)14-9-13-5-6-15(23-2)10-18(13)24-11-14/h5-6,8,10,14,17H,3-4,7,9,11H2,1-2H3/t14-,17+/m0/s1
InChIKeyJFXJOMXRZGLGCN-WMLDXEAASA-N
XLogP2.91
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

cyclopentyl-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 53017082
cyclohexyl-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002505
cyclohexyl-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002506
[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
CID 92598542
[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 92731587
[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 97273167
[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(3-phenylcyclobutyl)methanone
CID 95587198
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
CID 95349952
tert-butyl 4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 42948503
methyl 4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]benzoate
CID 38349038
ethyl (3S)-7-methoxy-3,4-dihydro-2H-chromene-3-carboxylate
CID 86334083
(3S)-7-methoxy-N-[(3R)-1-methylpiperidin-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 99103194

Frequently Asked Questions

What is the IUPAC name of [(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (CID 95286989) is [(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is COc1ccc2c(c1)OC[C@@H](C(=O)N1CCC[C@@H]1c1cc(C)on1)C2.
What is the InChIKey of [(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is JFXJOMXRZGLGCN-WMLDXEAASA-N. The full InChI is InChI=1S/C19H22N2O4/c1-12-8-16(20-25-12)17-4-3-7-21(17)19(22)14-9-13-5-6-15(23-2)10-18(13)24-11-14/h5-6,8,10,14,17H,3-4,7,9,11H2,1-2H3/t14-,17+/m0/s1.
What are the key properties of [(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 342.40 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95286989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).