(2S)-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-(difluoromethyl)pyrrolidine-1-carboxamide

C14H21F2N3O2 — CID 138010131

IUPAC(2S)-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-(difluoromethyl)pyrrolidine-1-carboxamide
SMILESCCc1noc(CC)c1CNC(=O)N1CCC[C@H]1C(F)F
InChIInChI=1S/C14H21F2N3O2/c1-3-10-9(12(4-2)21-18-10)8-17-14(20)19-7-5-6-11(19)13(15)16/h11,13H,3-8H2,1-2H3,(H,17,20)/t11-/m0/s1
InChIKeyOOBWGRIYHLXZQN-NSHDSACASA-N
MW301.34 g/mol
LogP2.74
Rot. Bonds5

About (2S)-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-(difluoromethyl)pyrrolidine-1-carboxamide

(2S)-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-(difluoromethyl)pyrrolidine-1-carboxamide (PubChem CID 138010131) has the molecular formula C14H21F2N3O2 and a molecular weight of 301.34 g/mol. Its IUPAC name is (2S)-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-(difluoromethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-(difluoromethyl)pyrrolidine-1-carboxamide
PubChem CID138010131
Molecular FormulaC14H21F2N3O2
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name(2S)-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-(difluoromethyl)pyrrolidine-1-carboxamide
SMILESCCc1noc(CC)c1CNC(=O)N1CCC[C@H]1C(F)F
InChIInChI=1S/C14H21F2N3O2/c1-3-10-9(12(4-2)21-18-10)8-17-14(20)19-7-5-6-11(19)13(15)16/h11,13H,3-8H2,1-2H3,(H,17,20)/t11-/m0/s1
InChIKeyOOBWGRIYHLXZQN-NSHDSACASA-N
XLogP2.74
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]acetamide;hydrochloride
CID 119344945
N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 131960917
1-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-ethylurea
CID 71972681
1-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 119344958
2-(3,5-diethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(3,4-difluorophenyl)pyrrolidin-1-yl]ethanone
CID 97051508
1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122015374
(2S)-2-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]propanamide;hydrochloride
CID 119344939
1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone
CID 124684633
9-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992210
3-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-methylbutanamide;hydrochloride
CID 120502331
4-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]pentanamide
CID 120564064
(2S)-2-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethylbutanamide
CID 119821091

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-(difluoromethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-(difluoromethyl)pyrrolidine-1-carboxamide (CID 138010131) is (2S)-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-(difluoromethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-(difluoromethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-(difluoromethyl)pyrrolidine-1-carboxamide is CCc1noc(CC)c1CNC(=O)N1CCC[C@H]1C(F)F.
What is the InChIKey of (2S)-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-(difluoromethyl)pyrrolidine-1-carboxamide?
The InChIKey is OOBWGRIYHLXZQN-NSHDSACASA-N. The full InChI is InChI=1S/C14H21F2N3O2/c1-3-10-9(12(4-2)21-18-10)8-17-14(20)19-7-5-6-11(19)13(15)16/h11,13H,3-8H2,1-2H3,(H,17,20)/t11-/m0/s1.
What are the key properties of (2S)-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-(difluoromethyl)pyrrolidine-1-carboxamide?
(2S)-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-(difluoromethyl)pyrrolidine-1-carboxamide has a molecular weight of 301.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-(difluoromethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 138010131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).