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

C18H21N3O4 — CID 162822751

IUPACN-[1-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2c(-c3ccccc3)noc2C(C)O)C1
InChIInChI=1S/C18H21N3O4/c1-11(22)17-15(16(20-25-17)13-6-4-3-5-7-13)18(24)21-9-8-14(10-21)19-12(2)23/h3-7,11,14,22H,8-10H2,1-2H3,(H,19,23)
InChIKeyQTFNWVIWQUHGRU-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.75
Rot. Bonds4

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

N-[1-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide (PubChem CID 162822751) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[1-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide
PubChem CID162822751
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-[1-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2c(-c3ccccc3)noc2C(C)O)C1
InChIInChI=1S/C18H21N3O4/c1-11(22)17-15(16(20-25-17)13-6-4-3-5-7-13)18(24)21-9-8-14(10-21)19-12(2)23/h3-7,11,14,22H,8-10H2,1-2H3,(H,19,23)
InChIKeyQTFNWVIWQUHGRU-UHFFFAOYSA-N
XLogP1.75
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide
CID 124877849
[5-[(1S)-1-hydroxyethyl]-3-phenyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 100632764
N-[1-[3-(4-fluorophenyl)-4-(1-hydroxyethyl)-1,2-oxazole-5-carbonyl]pyrrolidin-3-yl]acetamide
CID 162823890
N-[(3S)-1-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]acetamide
CID 135088868
5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carboxylic acid
CID 162957038
[4-(4-fluorophenyl)piperazin-1-yl]-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazol-4-yl]methanone
CID 162800213
(4-benzylpiperidin-1-yl)-[3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazol-4-yl]methanone
CID 100632464
[3-(4-chlorophenyl)-5-(1-hydroxyethyl)-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 162793272
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
N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]benzamide
CID 18131785
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 59170027

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide (CID 162822751) is N-[1-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(C(=O)c2c(-c3ccccc3)noc2C(C)O)C1.
What is the InChIKey of N-[1-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide?
The InChIKey is QTFNWVIWQUHGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-11(22)17-15(16(20-25-17)13-6-4-3-5-7-13)18(24)21-9-8-14(10-21)19-12(2)23/h3-7,11,14,22H,8-10H2,1-2H3,(H,19,23).
What are the key properties of N-[1-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide?
N-[1-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide has a molecular weight of 343.38 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 162822751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).