(2S)-2-amino-N-[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoropentanamide

C14H22F2N4O3 — CID 68822047

IUPAC(2S)-2-amino-N-[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoropentanamide
SMILESCC[C@H](NC(=O)[C@@H](N)CC(C)(F)F)C(O)c1nc(C2CC2)no1
InChIInChI=1S/C14H22F2N4O3/c1-3-9(18-12(22)8(17)6-14(2,15)16)10(21)13-19-11(20-23-13)7-4-5-7/h7-10,21H,3-6,17H2,1-2H3,(H,18,22)/t8-,9-,10?/m0/s1
InChIKeyMSZHFJGZMAPOOA-XMCUXHSSSA-N
MW332.35 g/mol
LogP1.25
Rot. Bonds8

About (2S)-2-amino-N-[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoropentanamide

(2S)-2-amino-N-[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoropentanamide (PubChem CID 68822047) has the molecular formula C14H22F2N4O3 and a molecular weight of 332.35 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoropentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoropentanamide
PubChem CID68822047
Molecular FormulaC14H22F2N4O3
Molecular Weight332.35 g/mol
Exact Mass332.17
IUPAC Name(2S)-2-amino-N-[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoropentanamide
SMILESCC[C@H](NC(=O)[C@@H](N)CC(C)(F)F)C(O)c1nc(C2CC2)no1
InChIInChI=1S/C14H22F2N4O3/c1-3-9(18-12(22)8(17)6-14(2,15)16)10(21)13-19-11(20-23-13)7-4-5-7/h7-10,21H,3-6,17H2,1-2H3,(H,18,22)/t8-,9-,10?/m0/s1
InChIKeyMSZHFJGZMAPOOA-XMCUXHSSSA-N
XLogP1.25
TPSA114.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoropentanamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoropentanamide (CID 68822047) is (2S)-2-amino-N-[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoropentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoropentanamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoropentanamide is CC[C@H](NC(=O)[C@@H](N)CC(C)(F)F)C(O)c1nc(C2CC2)no1.
What is the InChIKey of (2S)-2-amino-N-[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoropentanamide?
The InChIKey is MSZHFJGZMAPOOA-XMCUXHSSSA-N. The full InChI is InChI=1S/C14H22F2N4O3/c1-3-9(18-12(22)8(17)6-14(2,15)16)10(21)13-19-11(20-23-13)7-4-5-7/h7-10,21H,3-6,17H2,1-2H3,(H,18,22)/t8-,9-,10?/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoropentanamide?
(2S)-2-amino-N-[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoropentanamide has a molecular weight of 332.35 g/mol, XLogP of 1.25, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoropentanamide is sourced from PubChem (CID 68822047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).