N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide

C19H15N3O3 — CID 34304284

IUPACN-(2-methyl-1,3-benzoxazol-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCc1nc2cc(NC(=O)Cc3coc(-c4ccccc4)n3)ccc2o1
InChIInChI=1S/C19H15N3O3/c1-12-20-16-9-14(7-8-17(16)25-12)21-18(23)10-15-11-24-19(22-15)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,21,23)
InChIKeySXTLNBMTDIOIDB-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.97
Rot. Bonds4

About N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide

N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide (PubChem CID 34304284) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
PubChem CID34304284
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC NameN-(2-methyl-1,3-benzoxazol-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCc1nc2cc(NC(=O)Cc3coc(-c4ccccc4)n3)ccc2o1
InChIInChI=1S/C19H15N3O3/c1-12-20-16-9-14(7-8-17(16)25-12)21-18(23)10-15-11-24-19(22-15)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,21,23)
InChIKeySXTLNBMTDIOIDB-UHFFFAOYSA-N
XLogP3.97
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-anilinophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55457295
N-(4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 39427929
2-(2-phenyl-1,3-oxazol-4-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 39427955
2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 3013315
N-(3,5-difluorophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34169541
methyl 2-chloro-5-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate
CID 38239776
N-(4-ethoxyphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34802338
2-(3,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 34303569
ethyl 3-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate
CID 51262315
N-[3-[(dimethylamino)methyl]phenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 86932024
3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61276265
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 61273973

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide (CID 34304284) is N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide is Cc1nc2cc(NC(=O)Cc3coc(-c4ccccc4)n3)ccc2o1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The InChIKey is SXTLNBMTDIOIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-12-20-16-9-14(7-8-17(16)25-12)21-18(23)10-15-11-24-19(22-15)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,21,23).
What are the key properties of N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide has a molecular weight of 333.35 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 34304284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).