butyl N-[4-hydroxy-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]carbamate

C17H23N3O4 — CID 70036712

IUPACbutyl N-[4-hydroxy-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]carbamate
SMILESCCCCOC(=O)NCCCC(O)c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H23N3O4/c1-2-3-12-23-17(22)18-11-7-10-14(21)16-19-15(20-24-16)13-8-5-4-6-9-13/h4-6,8-9,14,21H,2-3,7,10-12H2,1H3,(H,18,22)
InChIKeySHUPXBPABQROLD-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.08
Rot. Bonds9

About butyl N-[4-hydroxy-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]carbamate

butyl N-[4-hydroxy-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]carbamate (PubChem CID 70036712) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is butyl N-[4-hydroxy-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]carbamate.

Molecular Properties

Compound Namebutyl N-[4-hydroxy-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]carbamate
PubChem CID70036712
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Namebutyl N-[4-hydroxy-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]carbamate
SMILESCCCCOC(=O)NCCCC(O)c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H23N3O4/c1-2-3-12-23-17(22)18-11-7-10-14(21)16-19-15(20-24-16)13-8-5-4-6-9-13/h4-6,8-9,14,21H,2-3,7,10-12H2,1H3,(H,18,22)
InChIKeySHUPXBPABQROLD-UHFFFAOYSA-N
XLogP3.08
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze butyl N-[4-hydroxy-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]carbamate with MolForge

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Related Compounds

5-(butoxycarbonylamino)-2-methylpentanoic acid
CID 87521921
2-(butoxycarbonylamino)ethyl benzoate
CID 570837
1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43630132
butyl N-(5-phenylpentyl)carbamate
CID 69404409
butyl N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]carbamate
CID 135326288
3-methoxy-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62478427
pentyl N-[(2S)-2-hydroxy-2-phenylethyl]carbamate
CID 2057392
(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol
CID 66264576
butyl N-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 16725892
(3S)-3-[[(1S)-2,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]carbamoyl]nonadecanoic acid
CID 122411362
2-methoxy-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 81077940
decyl N-(4-phenylbutyl)carbamate
CID 101211373

Frequently Asked Questions

What is the IUPAC name of butyl N-[4-hydroxy-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]carbamate?
The IUPAC name of butyl N-[4-hydroxy-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]carbamate (CID 70036712) is butyl N-[4-hydroxy-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]carbamate.
What is the SMILES notation for butyl N-[4-hydroxy-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]carbamate?
The canonical SMILES for butyl N-[4-hydroxy-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]carbamate is CCCCOC(=O)NCCCC(O)c1nc(-c2ccccc2)no1.
What is the InChIKey of butyl N-[4-hydroxy-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]carbamate?
The InChIKey is SHUPXBPABQROLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-2-3-12-23-17(22)18-11-7-10-14(21)16-19-15(20-24-16)13-8-5-4-6-9-13/h4-6,8-9,14,21H,2-3,7,10-12H2,1H3,(H,18,22).
What are the key properties of butyl N-[4-hydroxy-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]carbamate?
butyl N-[4-hydroxy-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]carbamate has a molecular weight of 333.39 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[4-hydroxy-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]carbamate is sourced from PubChem (CID 70036712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).