N-[(2R)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]-5-methyl-1,2-oxazole-3-carboxamide

C19H22FN3O3 — CID 97039442

IUPACN-[(2R)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC[C@@H](Cc2cccc(F)c2)N2CCCCC2=O)no1
InChIInChI=1S/C19H22FN3O3/c1-13-9-17(22-26-13)19(25)21-12-16(23-8-3-2-7-18(23)24)11-14-5-4-6-15(20)10-14/h4-6,9-10,16H,2-3,7-8,11-12H2,1H3,(H,21,25)/t16-/m1/s1
InChIKeyBPTYCHCWAKBCNK-MRXNPFEDSA-N
MW359.40 g/mol
LogP2.48
Rot. Bonds6

About N-[(2R)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[(2R)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 97039442) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is N-[(2R)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID97039442
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC NameN-[(2R)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC[C@@H](Cc2cccc(F)c2)N2CCCCC2=O)no1
InChIInChI=1S/C19H22FN3O3/c1-13-9-17(22-26-13)19(25)21-12-16(23-8-3-2-7-18(23)24)11-14-5-4-6-15(20)10-14/h4-6,9-10,16H,2-3,7-8,11-12H2,1H3,(H,21,25)/t16-/m1/s1
InChIKeyBPTYCHCWAKBCNK-MRXNPFEDSA-N
XLogP2.48
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]furan-2-carboxamide
CID 71784623
N-[(2R)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]pyridine-4-carboxamide
CID 97039441
N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]pyridine-4-carboxamide
CID 97039440
N-[(2R)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 97039368
2-fluoro-N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 71784593
N-[(2R)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 97039381
N-[2-(3-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47009713
N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide
CID 71784608
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 55674795
3-fluoro-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)benzamide
CID 110403888
N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 71784674
5-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide
CID 51075751

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2R)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 97039442) is N-[(2R)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2R)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC[C@@H](Cc2cccc(F)c2)N2CCCCC2=O)no1.
What is the InChIKey of N-[(2R)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is BPTYCHCWAKBCNK-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-13-9-17(22-26-13)19(25)21-12-16(23-8-3-2-7-18(23)24)11-14-5-4-6-15(20)10-14/h4-6,9-10,16H,2-3,7-8,11-12H2,1H3,(H,21,25)/t16-/m1/s1.
What are the key properties of N-[(2R)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[(2R)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 359.40 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 97039442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).