(2S)-2-cyclohexyloxy-N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]butanamide

C17H24N4O3 — CID 97095331

IUPAC(2S)-2-cyclohexyloxy-N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]butanamide
SMILESCC[C@H](OC1CCCCC1)C(=O)NCc1nc(-c2ccco2)n[nH]1
InChIInChI=1S/C17H24N4O3/c1-2-13(24-12-7-4-3-5-8-12)17(22)18-11-15-19-16(21-20-15)14-9-6-10-23-14/h6,9-10,12-13H,2-5,7-8,11H2,1H3,(H,18,22)(H,19,20,21)/t13-/m0/s1
InChIKeyYRSPDZKQYDYBLE-ZDUSSCGKSA-N
MW332.40 g/mol
LogP2.81
Rot. Bonds7

About (2S)-2-cyclohexyloxy-N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]butanamide

(2S)-2-cyclohexyloxy-N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]butanamide (PubChem CID 97095331) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is (2S)-2-cyclohexyloxy-N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-cyclohexyloxy-N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]butanamide
PubChem CID97095331
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name(2S)-2-cyclohexyloxy-N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]butanamide
SMILESCC[C@H](OC1CCCCC1)C(=O)NCc1nc(-c2ccco2)n[nH]1
InChIInChI=1S/C17H24N4O3/c1-2-13(24-12-7-4-3-5-8-12)17(22)18-11-15-19-16(21-20-15)14-9-6-10-23-14/h6,9-10,12-13H,2-5,7-8,11H2,1H3,(H,18,22)(H,19,20,21)/t13-/m0/s1
InChIKeyYRSPDZKQYDYBLE-ZDUSSCGKSA-N
XLogP2.81
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyloxy-N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]butanamide?
The IUPAC name of (2S)-2-cyclohexyloxy-N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]butanamide (CID 97095331) is (2S)-2-cyclohexyloxy-N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]butanamide.
What is the SMILES notation for (2S)-2-cyclohexyloxy-N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]butanamide?
The canonical SMILES for (2S)-2-cyclohexyloxy-N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]butanamide is CC[C@H](OC1CCCCC1)C(=O)NCc1nc(-c2ccco2)n[nH]1.
What is the InChIKey of (2S)-2-cyclohexyloxy-N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]butanamide?
The InChIKey is YRSPDZKQYDYBLE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-2-13(24-12-7-4-3-5-8-12)17(22)18-11-15-19-16(21-20-15)14-9-6-10-23-14/h6,9-10,12-13H,2-5,7-8,11H2,1H3,(H,18,22)(H,19,20,21)/t13-/m0/s1.
What are the key properties of (2S)-2-cyclohexyloxy-N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]butanamide?
(2S)-2-cyclohexyloxy-N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]butanamide has a molecular weight of 332.40 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyloxy-N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]butanamide is sourced from PubChem (CID 97095331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).