1-[4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxamide

C18H21N3O5 — CID 162897099

IUPAC1-[4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(-c2noc(C(=O)N3CCCC3C(N)=O)c2C(C)O)cc1
InChIInChI=1S/C18H21N3O5/c1-10(22)14-15(11-5-7-12(25-2)8-6-11)20-26-16(14)18(24)21-9-3-4-13(21)17(19)23/h5-8,10,13,22H,3-4,9H2,1-2H3,(H2,19,23)
InChIKeyCRSXJJFCKYYDHH-UHFFFAOYSA-N
MW359.38 g/mol
LogP1.49
Rot. Bonds5

About 1-[4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxamide

1-[4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 162897099) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is 1-[4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxamide
PubChem CID162897099
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name1-[4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(-c2noc(C(=O)N3CCCC3C(N)=O)c2C(C)O)cc1
InChIInChI=1S/C18H21N3O5/c1-10(22)14-15(11-5-7-12(25-2)8-6-11)20-26-16(14)18(24)21-9-3-4-13(21)17(19)23/h5-8,10,13,22H,3-4,9H2,1-2H3,(H2,19,23)
InChIKeyCRSXJJFCKYYDHH-UHFFFAOYSA-N
XLogP1.49
TPSA118.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 162981738
(2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 110867482
4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 163101755
(2S)-1-[4-(4-methoxyphenoxy)benzoyl]pyrrolidine-2-carboxamide
CID 46986685
(2R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide
CID 96533912
N,N-diethyl-4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 162958472
N,N-diethyl-4-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 100629454
1-(2,1-benzoxazole-3-carbonyl)pyrrolidine-2-carboxamide
CID 154306705
1-[4-[3-(4-chlorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 124877644
(2R)-1-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 129414997
[1-(4-methoxybenzoyl)pyrrolidin-2-yl]-(4-methylphenyl)methanone
CID 110394976
(2S)-1-[4-(4,5-dimethylpyridazin-3-yl)benzoyl]pyrrolidine-2-carboxamide
CID 162628535

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxamide (CID 162897099) is 1-[4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxamide is COc1ccc(-c2noc(C(=O)N3CCCC3C(N)=O)c2C(C)O)cc1.
What is the InChIKey of 1-[4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is CRSXJJFCKYYDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-10(22)14-15(11-5-7-12(25-2)8-6-11)20-26-16(14)18(24)21-9-3-4-13(21)17(19)23/h5-8,10,13,22H,3-4,9H2,1-2H3,(H2,19,23).
What are the key properties of 1-[4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxamide?
1-[4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 359.38 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 162897099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).