N-[2-[[5-(hydroxycarbamothioyl)-1,2-oxazol-3-yl]oxy]ethyl]-2-phenylbenzamide

C19H17N3O4S — CID 136506340

IUPACN-[2-[[5-(hydroxycarbamothioyl)-1,2-oxazol-3-yl]oxy]ethyl]-2-phenylbenzamide
SMILESO=C(NCCOc1cc(C(=S)NO)on1)c1ccccc1-c1ccccc1
InChIInChI=1S/C19H17N3O4S/c23-18(15-9-5-4-8-14(15)13-6-2-1-3-7-13)20-10-11-25-17-12-16(26-22-17)19(27)21-24/h1-9,12,24H,10-11H2,(H,20,23)(H,21,27)
InChIKeyDJAOLFCQEVZIQP-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.80
Rot. Bonds7

About N-[2-[[5-(hydroxycarbamothioyl)-1,2-oxazol-3-yl]oxy]ethyl]-2-phenylbenzamide

N-[2-[[5-(hydroxycarbamothioyl)-1,2-oxazol-3-yl]oxy]ethyl]-2-phenylbenzamide (PubChem CID 136506340) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is N-[2-[[5-(hydroxycarbamothioyl)-1,2-oxazol-3-yl]oxy]ethyl]-2-phenylbenzamide.

Molecular Properties

Compound NameN-[2-[[5-(hydroxycarbamothioyl)-1,2-oxazol-3-yl]oxy]ethyl]-2-phenylbenzamide
PubChem CID136506340
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC NameN-[2-[[5-(hydroxycarbamothioyl)-1,2-oxazol-3-yl]oxy]ethyl]-2-phenylbenzamide
SMILESO=C(NCCOc1cc(C(=S)NO)on1)c1ccccc1-c1ccccc1
InChIInChI=1S/C19H17N3O4S/c23-18(15-9-5-4-8-14(15)13-6-2-1-3-7-13)20-10-11-25-17-12-16(26-22-17)19(27)21-24/h1-9,12,24H,10-11H2,(H,20,23)(H,21,27)
InChIKeyDJAOLFCQEVZIQP-UHFFFAOYSA-N
XLogP2.80
TPSA96.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenoxyethyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 71802527
N-[3-(2-hydroxyethoxy)propyl]-2-phenylbenzamide
CID 110022367
N-(3-methoxypropyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 90574079
2-chloro-N-[2-(2-phenylphenoxy)ethyl]benzamide
CID 2994239
N-(2-phenylethyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 90574114
tert-butyl N-[2-[(5-phenyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate
CID 15434960
N-butyl-2-phenylbenzamide
CID 21064565
N-[2-[(2-phenylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide
CID 75500880
N-[[4-(acetamidomethyl)-2-pyridinyl]methyl]-2-phenylbenzamide
CID 157020169
3-phenylmethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide
CID 90574012
N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzamide
CID 26845120
N-[2-(2-phenylphenoxy)ethyl]isoquinoline-1-carboxamide
CID 52822289

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(hydroxycarbamothioyl)-1,2-oxazol-3-yl]oxy]ethyl]-2-phenylbenzamide?
The IUPAC name of N-[2-[[5-(hydroxycarbamothioyl)-1,2-oxazol-3-yl]oxy]ethyl]-2-phenylbenzamide (CID 136506340) is N-[2-[[5-(hydroxycarbamothioyl)-1,2-oxazol-3-yl]oxy]ethyl]-2-phenylbenzamide.
What is the SMILES notation for N-[2-[[5-(hydroxycarbamothioyl)-1,2-oxazol-3-yl]oxy]ethyl]-2-phenylbenzamide?
The canonical SMILES for N-[2-[[5-(hydroxycarbamothioyl)-1,2-oxazol-3-yl]oxy]ethyl]-2-phenylbenzamide is O=C(NCCOc1cc(C(=S)NO)on1)c1ccccc1-c1ccccc1.
What is the InChIKey of N-[2-[[5-(hydroxycarbamothioyl)-1,2-oxazol-3-yl]oxy]ethyl]-2-phenylbenzamide?
The InChIKey is DJAOLFCQEVZIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c23-18(15-9-5-4-8-14(15)13-6-2-1-3-7-13)20-10-11-25-17-12-16(26-22-17)19(27)21-24/h1-9,12,24H,10-11H2,(H,20,23)(H,21,27).
What are the key properties of N-[2-[[5-(hydroxycarbamothioyl)-1,2-oxazol-3-yl]oxy]ethyl]-2-phenylbenzamide?
N-[2-[[5-(hydroxycarbamothioyl)-1,2-oxazol-3-yl]oxy]ethyl]-2-phenylbenzamide has a molecular weight of 383.43 g/mol, XLogP of 2.80, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(hydroxycarbamothioyl)-1,2-oxazol-3-yl]oxy]ethyl]-2-phenylbenzamide is sourced from PubChem (CID 136506340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).