(2R,3S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-methyl-2-phenylazetidine-1-carboxamide

C17H21N3O2 — CID 124568403

IUPAC(2R,3S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-methyl-2-phenylazetidine-1-carboxamide
SMILESCCc1noc(C)c1NC(=O)N1C[C@H](C)[C@@H]1c1ccccc1
InChIInChI=1S/C17H21N3O2/c1-4-14-15(12(3)22-19-14)18-17(21)20-10-11(2)16(20)13-8-6-5-7-9-13/h5-9,11,16H,4,10H2,1-3H3,(H,18,21)/t11-,16+/m0/s1
InChIKeyUTKBNAYLYQRKPG-MEDUHNTESA-N
MW299.37 g/mol
LogP3.77
Rot. Bonds3

About (2R,3S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-methyl-2-phenylazetidine-1-carboxamide

(2R,3S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-methyl-2-phenylazetidine-1-carboxamide (PubChem CID 124568403) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2R,3S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-methyl-2-phenylazetidine-1-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-methyl-2-phenylazetidine-1-carboxamide
PubChem CID124568403
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(2R,3S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-methyl-2-phenylazetidine-1-carboxamide
SMILESCCc1noc(C)c1NC(=O)N1C[C@H](C)[C@@H]1c1ccccc1
InChIInChI=1S/C17H21N3O2/c1-4-14-15(12(3)22-19-14)18-17(21)20-10-11(2)16(20)13-8-6-5-7-9-13/h5-9,11,16H,4,10H2,1-3H3,(H,18,21)/t11-,16+/m0/s1
InChIKeyUTKBNAYLYQRKPG-MEDUHNTESA-N
XLogP3.77
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxamide
CID 129353248
(2R,3S)-N-(cyclopropylmethyl)-3-methyl-2-phenylazetidine-1-carboxamide
CID 99774852
1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(2-hydroxy-2-phenylpropyl)urea
CID 109397223
(2S,3S)-3-methyl-N-(4-methylsulfanylbutyl)-2-phenylazetidine-1-carboxamide
CID 97023950
(2R,3R)-3-methyl-N-(4-methylsulfanylbutyl)-2-phenylazetidine-1-carboxamide
CID 97023951
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-methyl-2-phenylazetidine-1-carboxamide
CID 86799645
(2R,3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylazetidine-1-carboxamide
CID 99715252
(2R,3R)-N-(2-methoxypyrimidin-4-yl)-3-methyl-2-phenylazetidine-1-carboxamide
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(3aS,6aR)-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122088047
(2S,3S)-3-methyl-N-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylazetidine-1-carboxamide
CID 125139517
3,5-dimethyl-N-[(2S)-1-(3-methyl-2-phenylazetidin-1-yl)-1-oxopropan-2-yl]-1,2-oxazole-4-sulfonamide
CID 102558465
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 95142810

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-methyl-2-phenylazetidine-1-carboxamide?
The IUPAC name of (2R,3S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-methyl-2-phenylazetidine-1-carboxamide (CID 124568403) is (2R,3S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-methyl-2-phenylazetidine-1-carboxamide.
What is the SMILES notation for (2R,3S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-methyl-2-phenylazetidine-1-carboxamide?
The canonical SMILES for (2R,3S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-methyl-2-phenylazetidine-1-carboxamide is CCc1noc(C)c1NC(=O)N1C[C@H](C)[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-methyl-2-phenylazetidine-1-carboxamide?
The InChIKey is UTKBNAYLYQRKPG-MEDUHNTESA-N. The full InChI is InChI=1S/C17H21N3O2/c1-4-14-15(12(3)22-19-14)18-17(21)20-10-11(2)16(20)13-8-6-5-7-9-13/h5-9,11,16H,4,10H2,1-3H3,(H,18,21)/t11-,16+/m0/s1.
What are the key properties of (2R,3S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-methyl-2-phenylazetidine-1-carboxamide?
(2R,3S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-methyl-2-phenylazetidine-1-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-methyl-2-phenylazetidine-1-carboxamide is sourced from PubChem (CID 124568403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).