N-[(2S)-oxan-2-yl]oxy-3-phenyl-2,1-benzoxazole-5-carboxamide

C19H18N2O4 — CID 52536018

IUPACN-[(2S)-oxan-2-yl]oxy-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESO=C(NO[C@H]1CCCCO1)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C19H18N2O4/c22-19(21-24-17-8-4-5-11-23-17)14-9-10-16-15(12-14)18(25-20-16)13-6-2-1-3-7-13/h1-3,6-7,9-10,12,17H,4-5,8,11H2,(H,21,22)/t17-/m0/s1
InChIKeyDWNJXTWVILAOBF-KRWDZBQOSA-N
MW338.36 g/mol
LogP3.68
Rot. Bonds4

About N-[(2S)-oxan-2-yl]oxy-3-phenyl-2,1-benzoxazole-5-carboxamide

N-[(2S)-oxan-2-yl]oxy-3-phenyl-2,1-benzoxazole-5-carboxamide (PubChem CID 52536018) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-[(2S)-oxan-2-yl]oxy-3-phenyl-2,1-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-oxan-2-yl]oxy-3-phenyl-2,1-benzoxazole-5-carboxamide
PubChem CID52536018
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-[(2S)-oxan-2-yl]oxy-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESO=C(NO[C@H]1CCCCO1)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C19H18N2O4/c22-19(21-24-17-8-4-5-11-23-17)14-9-10-16-15(12-14)18(25-20-16)13-6-2-1-3-7-13/h1-3,6-7,9-10,12,17H,4-5,8,11H2,(H,21,22)/t17-/m0/s1
InChIKeyDWNJXTWVILAOBF-KRWDZBQOSA-N
XLogP3.68
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9210227
N-(2-oxoazepan-3-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 71891205
[2-(cyclopentylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate
CID 7503143
N-[(3S)-1-methylpiperidin-3-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 95976740
3-benzamido-4-methyl-N-[(2S)-oxan-2-yl]oxybenzamide
CID 52829145
3-(dimethylamino)-N-(oxan-2-yloxy)benzamide
CID 60612522
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9451735
3-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,1-benzoxazole-5-carboxamide
CID 55849250
N-(oxan-2-yloxy)-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide
CID 71815541
N-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465275
4-chloro-N-(oxan-2-yloxy)benzamide
CID 51103118
5-(oxan-2-yloxycarbamoyl)-1,3-dihydroisoindole-2-carboxylic acid
CID 123685392

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-oxan-2-yl]oxy-3-phenyl-2,1-benzoxazole-5-carboxamide?
The IUPAC name of N-[(2S)-oxan-2-yl]oxy-3-phenyl-2,1-benzoxazole-5-carboxamide (CID 52536018) is N-[(2S)-oxan-2-yl]oxy-3-phenyl-2,1-benzoxazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-oxan-2-yl]oxy-3-phenyl-2,1-benzoxazole-5-carboxamide?
The canonical SMILES for N-[(2S)-oxan-2-yl]oxy-3-phenyl-2,1-benzoxazole-5-carboxamide is O=C(NO[C@H]1CCCCO1)c1ccc2noc(-c3ccccc3)c2c1.
What is the InChIKey of N-[(2S)-oxan-2-yl]oxy-3-phenyl-2,1-benzoxazole-5-carboxamide?
The InChIKey is DWNJXTWVILAOBF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H18N2O4/c22-19(21-24-17-8-4-5-11-23-17)14-9-10-16-15(12-14)18(25-20-16)13-6-2-1-3-7-13/h1-3,6-7,9-10,12,17H,4-5,8,11H2,(H,21,22)/t17-/m0/s1.
What are the key properties of N-[(2S)-oxan-2-yl]oxy-3-phenyl-2,1-benzoxazole-5-carboxamide?
N-[(2S)-oxan-2-yl]oxy-3-phenyl-2,1-benzoxazole-5-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-oxan-2-yl]oxy-3-phenyl-2,1-benzoxazole-5-carboxamide is sourced from PubChem (CID 52536018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).