5-(4-acetamidophenyl)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-oxazole-2-carboxamide

C18H20N4O3 — CID 22350832

IUPAC5-(4-acetamidophenyl)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-oxazole-2-carboxamide
SMILESCC(=O)Nc1ccc(-c2cnc(C(=O)NC3CC4CNC3C4)o2)cc1
InChIInChI=1S/C18H20N4O3/c1-10(23)21-13-4-2-12(3-5-13)16-9-20-18(25-16)17(24)22-15-7-11-6-14(15)19-8-11/h2-5,9,11,14-15,19H,6-8H2,1H3,(H,21,23)(H,22,24)
InChIKeyZQTBHIWDUVYFFY-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.78
Rot. Bonds4

About 5-(4-acetamidophenyl)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-oxazole-2-carboxamide

5-(4-acetamidophenyl)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-oxazole-2-carboxamide (PubChem CID 22350832) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-(4-acetamidophenyl)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetamidophenyl)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-oxazole-2-carboxamide
PubChem CID22350832
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name5-(4-acetamidophenyl)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-oxazole-2-carboxamide
SMILESCC(=O)Nc1ccc(-c2cnc(C(=O)NC3CC4CNC3C4)o2)cc1
InChIInChI=1S/C18H20N4O3/c1-10(23)21-13-4-2-12(3-5-13)16-9-20-18(25-16)17(24)22-15-7-11-6-14(15)19-8-11/h2-5,9,11,14-15,19H,6-8H2,1H3,(H,21,23)(H,22,24)
InChIKeyZQTBHIWDUVYFFY-UHFFFAOYSA-N
XLogP1.78
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-aminophenyl)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-oxazole-2-carboxamide
CID 22350867
N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-chloro-1,3-oxazole-2-carboxamide
CID 22350376
4-(4-acetamidophenyl)sulfanyl-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide
CID 22573526
N-(2-azabicyclo[2.2.1]heptan-6-yl)furo[2,3-c]pyridine-5-carboxamide
CID 22389421
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenyl-1,3-oxazole-2-carboxamide
CID 59923485
N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-benzoxazole-5-carboxamide
CID 10214645
N-[(1R,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]-1-benzofuran-5-carboxamide
CID 98096202
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-fluorophenyl)-1,3-oxazole-2-carboxamide
CID 18535363
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3,5-difluorophenyl)-1,3-oxazole-2-carboxamide
CID 18535009
N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 22350559
N-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methoxy]phenyl]acetamide
CID 9353806
5-(3-cyanophenyl)-N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-1,3-oxazole-2-carboxamide
CID 155212531

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetamidophenyl)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-oxazole-2-carboxamide?
The IUPAC name of 5-(4-acetamidophenyl)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-oxazole-2-carboxamide (CID 22350832) is 5-(4-acetamidophenyl)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 5-(4-acetamidophenyl)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-oxazole-2-carboxamide?
The canonical SMILES for 5-(4-acetamidophenyl)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-oxazole-2-carboxamide is CC(=O)Nc1ccc(-c2cnc(C(=O)NC3CC4CNC3C4)o2)cc1.
What is the InChIKey of 5-(4-acetamidophenyl)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-oxazole-2-carboxamide?
The InChIKey is ZQTBHIWDUVYFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-10(23)21-13-4-2-12(3-5-13)16-9-20-18(25-16)17(24)22-15-7-11-6-14(15)19-8-11/h2-5,9,11,14-15,19H,6-8H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 5-(4-acetamidophenyl)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-oxazole-2-carboxamide?
5-(4-acetamidophenyl)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-oxazole-2-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetamidophenyl)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 22350832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).