N-(2-hydroxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide

C19H15N3O3S — CID 97361925

IUPACN-(2-hydroxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
SMILESO=C(NCCO)c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C19H15N3O3S/c23-9-8-20-18(24)13-6-7-16-14(10-13)17(22-25-16)15-11-26-19(21-15)12-4-2-1-3-5-12/h1-7,10-11,23H,8-9H2,(H,20,24)
InChIKeyOZNRAXUSEKFUAB-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.34
Rot. Bonds5

About N-(2-hydroxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide

N-(2-hydroxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide (PubChem CID 97361925) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
PubChem CID97361925
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC NameN-(2-hydroxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
SMILESO=C(NCCO)c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C19H15N3O3S/c23-9-8-20-18(24)13-6-7-16-14(10-13)17(22-25-16)15-11-26-19(21-15)12-4-2-1-3-5-12/h1-7,10-11,23H,8-9H2,(H,20,24)
InChIKeyOZNRAXUSEKFUAB-UHFFFAOYSA-N
XLogP3.34
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(diethylamino)propyl]-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97361929
N-(3,5-difluorophenyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97385266
3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide
CID 97446455
N-(6-methyl-3-pyridinyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97361918
3-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide
CID 97446430
N-benzyl-3-(2-phenyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97446275
3-(2-phenyl-1,3-oxazol-4-yl)-N-(2-pyridin-2-ylethyl)-1,2-benzoxazole-5-carboxamide
CID 97443273
3-(2-phenyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide
CID 97443263
3-(2-methyl-1,3-oxazol-4-yl)-N-propyl-1,2-benzoxazole-5-carboxamide
CID 134075410
N-(2-hydroxyethyl)-4-(3-phenyl-1,2-oxazol-4-yl)benzamide
CID 58833396
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110284922
N-[2-[(3-methoxybenzoyl)amino]ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 86921294

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide (CID 97361925) is N-(2-hydroxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide is O=C(NCCO)c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1.
What is the InChIKey of N-(2-hydroxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The InChIKey is OZNRAXUSEKFUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S/c23-9-8-20-18(24)13-6-7-16-14(10-13)17(22-25-16)15-11-26-19(21-15)12-4-2-1-3-5-12/h1-7,10-11,23H,8-9H2,(H,20,24).
What are the key properties of N-(2-hydroxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide?
N-(2-hydroxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide is sourced from PubChem (CID 97361925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).