N-[(3R)-1-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide

C19H23N3O5 — CID 124877849

IUPACN-[(3R)-1-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide
SMILESCOc1ccc(-c2noc([C@H](C)O)c2C(=O)N2CC[C@@H](NC(C)=O)C2)cc1
InChIInChI=1S/C19H23N3O5/c1-11(23)18-16(19(25)22-9-8-14(10-22)20-12(2)24)17(21-27-18)13-4-6-15(26-3)7-5-13/h4-7,11,14,23H,8-10H2,1-3H3,(H,20,24)/t11-,14+/m0/s1
InChIKeyVKPMJHLVRBCVIH-SMDDNHRTSA-N
MW373.41 g/mol
LogP1.75
Rot. Bonds5

About N-[(3R)-1-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide

N-[(3R)-1-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide (PubChem CID 124877849) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[(3R)-1-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide
PubChem CID124877849
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC NameN-[(3R)-1-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide
SMILESCOc1ccc(-c2noc([C@H](C)O)c2C(=O)N2CC[C@@H](NC(C)=O)C2)cc1
InChIInChI=1S/C19H23N3O5/c1-11(23)18-16(19(25)22-9-8-14(10-22)20-12(2)24)17(21-27-18)13-4-6-15(26-3)7-5-13/h4-7,11,14,23H,8-10H2,1-3H3,(H,20,24)/t11-,14+/m0/s1
InChIKeyVKPMJHLVRBCVIH-SMDDNHRTSA-N
XLogP1.75
TPSA104.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide
CID 162822751
[5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]-morpholin-4-ylmethanone
CID 162846787
N-[1-[3-(4-fluorophenyl)-4-(1-hydroxyethyl)-1,2-oxazole-5-carbonyl]pyrrolidin-3-yl]acetamide
CID 162823890
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]methanone
CID 124875106
5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-4-carboxamide
CID 162801131
1-[4-[3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazole-4-carbonyl]piperazin-1-yl]ethanone
CID 124877442
1-[4-[3-(4-fluorophenyl)-5-(1-hydroxyethyl)-1,2-oxazole-4-carbonyl]piperazin-1-yl]ethanone
CID 162913152
5-(1-acetamidoethyl)-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 163062920
[3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-1,2-oxazol-4-yl]-piperidin-1-ylmethanone
CID 162800374
N-[(3R)-1-[3-(2,4-dimethoxyphenyl)benzoyl]pyrrolidin-3-yl]acetamide
CID 125164313
5-[(1R)-1-(cyclohexylcarbamoylamino)ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 75368372
(4-benzylpiperidin-1-yl)-[3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazol-4-yl]methanone
CID 100632464

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide (CID 124877849) is N-[(3R)-1-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide is COc1ccc(-c2noc([C@H](C)O)c2C(=O)N2CC[C@@H](NC(C)=O)C2)cc1.
What is the InChIKey of N-[(3R)-1-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide?
The InChIKey is VKPMJHLVRBCVIH-SMDDNHRTSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-11(23)18-16(19(25)22-9-8-14(10-22)20-12(2)24)17(21-27-18)13-4-6-15(26-3)7-5-13/h4-7,11,14,23H,8-10H2,1-3H3,(H,20,24)/t11-,14+/m0/s1.
What are the key properties of N-[(3R)-1-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide?
N-[(3R)-1-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide has a molecular weight of 373.41 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 124877849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).