[(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone

C16H22N4O4 — CID 97470721

IUPAC[(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESCOCCO[C@H]1CCN(C(=O)c2ccno2)[C@H]1Cc1cnn(C)c1
InChIInChI=1S/C16H22N4O4/c1-19-11-12(10-17-19)9-13-14(23-8-7-22-2)4-6-20(13)16(21)15-3-5-18-24-15/h3,5,10-11,13-14H,4,6-9H2,1-2H3/t13-,14-/m0/s1
InChIKeyZZBOEXIFPXAYIT-KBPBESRZSA-N
MW334.38 g/mol
LogP0.90
Rot. Bonds7

About [(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone

[(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone (PubChem CID 97470721) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is [(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
PubChem CID97470721
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name[(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESCOCCO[C@H]1CCN(C(=O)c2ccno2)[C@H]1Cc1cnn(C)c1
InChIInChI=1S/C16H22N4O4/c1-19-11-12(10-17-19)9-13-14(23-8-7-22-2)4-6-20(13)16(21)15-3-5-18-24-15/h3,5,10-11,13-14H,4,6-9H2,1-2H3/t13-,14-/m0/s1
InChIKeyZZBOEXIFPXAYIT-KBPBESRZSA-N
XLogP0.90
TPSA82.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone 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

[(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 97392011
1-Methyl-4-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 118741035
[(2S,3S)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 97391996
[(2S,3S)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 97470668
N-[[(3S,3aR,7aR)-5-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 97379027
(3S)-1-ethyl-3-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97391690
(3R)-1-ethyl-3-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97391691
(4S)-1-methyl-4-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97391810
(4R)-1-methyl-4-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97391811
(4R)-1-ethyl-4-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97391814
(4S)-1-ethyl-4-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97391815
[(2S,3R)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 97470296

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The IUPAC name of [(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone (CID 97470721) is [(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for [(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone is COCCO[C@H]1CCN(C(=O)c2ccno2)[C@H]1Cc1cnn(C)c1.
What is the InChIKey of [(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The InChIKey is ZZBOEXIFPXAYIT-KBPBESRZSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-19-11-12(10-17-19)9-13-14(23-8-7-22-2)4-6-20(13)16(21)15-3-5-18-24-15/h3,5,10-11,13-14H,4,6-9H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of [(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone?
[(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone has a molecular weight of 334.38 g/mol, XLogP of 0.90, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 97470721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).