N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide

C17H18ClN3O3 — CID 42377030

IUPACN-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)N[C@H]1CC(=O)N(CCc2cccc(Cl)c2)C1
InChIInChI=1S/C17H18ClN3O3/c1-11-16(24-10-19-11)17(23)20-14-8-15(22)21(9-14)6-5-12-3-2-4-13(18)7-12/h2-4,7,10,14H,5-6,8-9H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeyUEHIMBITBJHBSD-AWEZNQCLSA-N
MW347.80 g/mol
LogP2.21
Rot. Bonds5

About N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide

N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 42377030) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID42377030
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC NameN-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)N[C@H]1CC(=O)N(CCc2cccc(Cl)c2)C1
InChIInChI=1S/C17H18ClN3O3/c1-11-16(24-10-19-11)17(23)20-14-8-15(22)21(9-14)6-5-12-3-2-4-13(18)7-12/h2-4,7,10,14H,5-6,8-9H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeyUEHIMBITBJHBSD-AWEZNQCLSA-N
XLogP2.21
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
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N-[(3R)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
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N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide
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CID 26315273
1-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea
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CID 26329415
N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-1-oxidopyridin-1-ium-3-carboxamide
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1-[(3R)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-thiophen-2-ylurea
CID 42464310
5-ethyl-N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
CID 25281084
(4R)-1-[2-(3-chlorophenyl)ethyl]-4-(cyclopropylmethylamino)pyrrolidin-2-one
CID 26406990
4-chloro-1-[2-(3-chlorophenyl)ethyl]pyrrolidin-2-one
CID 168688652

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide (CID 42377030) is N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)N[C@H]1CC(=O)N(CCc2cccc(Cl)c2)C1.
What is the InChIKey of N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is UEHIMBITBJHBSD-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-11-16(24-10-19-11)17(23)20-14-8-15(22)21(9-14)6-5-12-3-2-4-13(18)7-12/h2-4,7,10,14H,5-6,8-9H2,1H3,(H,20,23)/t14-/m0/s1.
What are the key properties of N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide?
N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 347.80 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 42377030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).