(3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol

C16H20N2O3 — CID 129350021

IUPAC(3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol
SMILESCOc1cccc([C@H]2C[C@H](O)CN2Cc2cnoc2C)c1
InChIInChI=1S/C16H20N2O3/c1-11-13(8-17-21-11)9-18-10-14(19)7-16(18)12-4-3-5-15(6-12)20-2/h3-6,8,14,16,19H,7,9-10H2,1-2H3/t14-,16+/m0/s1
InChIKeyIHMBWGPKVPDCPW-GOEBONIOSA-N
MW288.35 g/mol
LogP2.30
Rot. Bonds4

About (3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol

(3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol (PubChem CID 129350021) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is (3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol
PubChem CID129350021
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name(3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol
SMILESCOc1cccc([C@H]2C[C@H](O)CN2Cc2cnoc2C)c1
InChIInChI=1S/C16H20N2O3/c1-11-13(8-17-21-11)9-18-10-14(19)7-16(18)12-4-3-5-15(6-12)20-2/h3-6,8,14,16,19H,7,9-10H2,1-2H3/t14-,16+/m0/s1
InChIKeyIHMBWGPKVPDCPW-GOEBONIOSA-N
XLogP2.30
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-ol
CID 129481109
(3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol
CID 100736947
(3S,5R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481177
(3R,5R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481272
(3R,5S)-1-[[4-(hydroxymethyl)phenyl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 100737617
(3S,5S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 100737404
(3S,5S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481131
1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 128964270
1-(1H-indol-4-ylmethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 167953690
1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 167793030
4-fluoro-2-[[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]benzonitrile
CID 128965761
4-[[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]benzoic acid
CID 122033957

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol (CID 129350021) is (3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol is COc1cccc([C@H]2C[C@H](O)CN2Cc2cnoc2C)c1.
What is the InChIKey of (3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol?
The InChIKey is IHMBWGPKVPDCPW-GOEBONIOSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-13(8-17-21-11)9-18-10-14(19)7-16(18)12-4-3-5-15(6-12)20-2/h3-6,8,14,16,19H,7,9-10H2,1-2H3/t14-,16+/m0/s1.
What are the key properties of (3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol?
(3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol has a molecular weight of 288.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 129350021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).