(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(hydroxymethyl)-1,2-oxazol-3-yl]pentanamide

C17H19F2N3O4 — CID 70343842

IUPAC(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(hydroxymethyl)-1,2-oxazol-3-yl]pentanamide
SMILESCCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(CO)on1
InChIInChI=1S/C17H19F2N3O4/c1-2-3-14(17(25)21-15-8-13(9-23)26-22-15)20-16(24)6-10-4-11(18)7-12(19)5-10/h4-5,7-8,14,23H,2-3,6,9H2,1H3,(H,20,24)(H,21,22,25)/t14-/m0/s1
InChIKeyCJXMXAMMMDBBLR-AWEZNQCLSA-N
MW367.35 g/mol
LogP1.91
Rot. Bonds8

About (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(hydroxymethyl)-1,2-oxazol-3-yl]pentanamide

(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(hydroxymethyl)-1,2-oxazol-3-yl]pentanamide (PubChem CID 70343842) has the molecular formula C17H19F2N3O4 and a molecular weight of 367.35 g/mol. Its IUPAC name is (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(hydroxymethyl)-1,2-oxazol-3-yl]pentanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(hydroxymethyl)-1,2-oxazol-3-yl]pentanamide
PubChem CID70343842
Molecular FormulaC17H19F2N3O4
Molecular Weight367.35 g/mol
Exact Mass367.13
IUPAC Name(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(hydroxymethyl)-1,2-oxazol-3-yl]pentanamide
SMILESCCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(CO)on1
InChIInChI=1S/C17H19F2N3O4/c1-2-3-14(17(25)21-15-8-13(9-23)26-22-15)20-16(24)6-10-4-11(18)7-12(19)5-10/h4-5,7-8,14,23H,2-3,6,9H2,1H3,(H,20,24)(H,21,22,25)/t14-/m0/s1
InChIKeyCJXMXAMMMDBBLR-AWEZNQCLSA-N
XLogP1.91
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)pyrazin-2-yl]pentanamide
CID 86598115
N-[3-(cyclopentylmethyl)-1,2-oxazol-5-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
CID 11430058
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-hydroxypropyl)-1,3-oxazol-2-yl]pentanamide
CID 11211599
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]pentanamide
CID 91001589
3-[4-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]imidazol-1-yl]butanoic acid
CID 142780612
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-methyl-1-phenylpyrazol-3-yl)pentanamide
CID 10251870
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-pyrrolidin-1-ylpyrazin-2-yl)pentanamide
CID 11407422
3-[6-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-3-pyridinyl]prop-2-enoic acid
CID 142997608
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(3-oxoprop-1-enyl)-2-pyridinyl]pentanamide
CID 90764008
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(3-hydroxy-3-methylbutyl)-2-pyridinyl]pentanamide
CID 86598098
N-[5-(butylaminomethyl)pyrazin-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
CID 86598101
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-oxopentan-2-yl)-2-pyridinyl]pentanamide
CID 11475949

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(hydroxymethyl)-1,2-oxazol-3-yl]pentanamide?
The IUPAC name of (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(hydroxymethyl)-1,2-oxazol-3-yl]pentanamide (CID 70343842) is (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(hydroxymethyl)-1,2-oxazol-3-yl]pentanamide.
What is the SMILES notation for (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(hydroxymethyl)-1,2-oxazol-3-yl]pentanamide?
The canonical SMILES for (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(hydroxymethyl)-1,2-oxazol-3-yl]pentanamide is CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(CO)on1.
What is the InChIKey of (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(hydroxymethyl)-1,2-oxazol-3-yl]pentanamide?
The InChIKey is CJXMXAMMMDBBLR-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19F2N3O4/c1-2-3-14(17(25)21-15-8-13(9-23)26-22-15)20-16(24)6-10-4-11(18)7-12(19)5-10/h4-5,7-8,14,23H,2-3,6,9H2,1H3,(H,20,24)(H,21,22,25)/t14-/m0/s1.
What are the key properties of (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(hydroxymethyl)-1,2-oxazol-3-yl]pentanamide?
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(hydroxymethyl)-1,2-oxazol-3-yl]pentanamide has a molecular weight of 367.35 g/mol, XLogP of 1.91, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(hydroxymethyl)-1,2-oxazol-3-yl]pentanamide is sourced from PubChem (CID 70343842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).