N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

C20H26ClN3O2 — CID 30478046

IUPACN-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1
InChIInChI=1S/C20H26ClN3O2/c1-13(2)19-18(14(3)23-26-19)20(25)22-12-17(24-10-6-7-11-24)15-8-4-5-9-16(15)21/h4-5,8-9,13,17H,6-7,10-12H2,1-3H3,(H,22,25)/t17-/m0/s1
InChIKeyQLKDQPJRICTHRK-KRWDZBQOSA-N
MW375.90 g/mol
LogP4.33
Rot. Bonds6

About N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 30478046) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID30478046
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC NameN-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1
InChIInChI=1S/C20H26ClN3O2/c1-13(2)19-18(14(3)23-26-19)20(25)22-12-17(24-10-6-7-11-24)15-8-4-5-9-16(15)21/h4-5,8-9,13,17H,6-7,10-12H2,1-3H3,(H,22,25)/t17-/m0/s1
InChIKeyQLKDQPJRICTHRK-KRWDZBQOSA-N
XLogP4.33
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110623869
N-[2-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110622415
N-[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]furan-2-carboxamide
CID 17013059
N-[(2S)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]furan-2-carboxamide
CID 35043208
N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 17013868
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55712867
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 24658952
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 35043648
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 17011529
N-[2-(dimethylamino)-2-phenylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 75459780
N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-4-fluorobenzamide
CID 35043367
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pyridine-4-carboxamide
CID 37050347

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 30478046) is N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is Cc1noc(C(C)C)c1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1.
What is the InChIKey of N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is QLKDQPJRICTHRK-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H26ClN3O2/c1-13(2)19-18(14(3)23-26-19)20(25)22-12-17(24-10-6-7-11-24)15-8-4-5-9-16(15)21/h4-5,8-9,13,17H,6-7,10-12H2,1-3H3,(H,22,25)/t17-/m0/s1.
What are the key properties of N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 375.90 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 30478046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).