N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)-1,3-oxazole-2-carboxamide

C17H18ClN3O2 — CID 22350338

IUPACN-(1-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)-1,3-oxazole-2-carboxamide
SMILESO=C(NC1CC2CCN(C2)C1)c1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H18ClN3O2/c18-13-3-1-12(2-4-13)15-8-19-17(23-15)16(22)20-14-7-11-5-6-21(9-11)10-14/h1-4,8,11,14H,5-7,9-10H2,(H,20,22)
InChIKeyMEBASIBABPKFQU-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.82
Rot. Bonds3

About N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)-1,3-oxazole-2-carboxamide

N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)-1,3-oxazole-2-carboxamide (PubChem CID 22350338) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)-1,3-oxazole-2-carboxamide
PubChem CID22350338
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC NameN-(1-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)-1,3-oxazole-2-carboxamide
SMILESO=C(NC1CC2CCN(C2)C1)c1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H18ClN3O2/c18-13-3-1-12(2-4-13)15-8-19-17(23-15)16(22)20-14-7-11-5-6-21(9-11)10-14/h1-4,8,11,14H,5-7,9-10H2,(H,20,22)
InChIKeyMEBASIBABPKFQU-UHFFFAOYSA-N
XLogP2.82
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-aminophenyl)-N-[(3S,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1,3-oxazole-2-carboxamide
CID 10267681
N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromo-1,3-oxazole-2-carboxamide
CID 22350688
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-4-(4-chlorophenyl)pyrazole-1-carboxamide
CID 21083376
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenyl-1,3-oxazole-2-carboxamide
CID 59923485
N-(1-azabicyclo[3.2.1]octan-3-yl)-4-chloro-5-hydroxypyrimidine-2-carboxamide
CID 22243235
5-(3-chlorophenyl)-N-pyrrolidin-3-yl-1,3-oxazole-2-carboxamide
CID 168909393
N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromofuran-2-carboxamide
CID 22350324
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-6-chloro-5-hydroxypyridine-2-carboxamide
CID 87940296
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide;hydrochloride
CID 25014728
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-bromofuro[2,3-c]pyridine-5-carboxamide
CID 66815107
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-7-chlorofuro[2,3-c]pyridine-5-carboxamide
CID 87166112
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylfuro[3,2-c]pyridine-6-carboxamide
CID 66814738

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)-1,3-oxazole-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)-1,3-oxazole-2-carboxamide (CID 22350338) is N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)-1,3-oxazole-2-carboxamide is O=C(NC1CC2CCN(C2)C1)c1ncc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)-1,3-oxazole-2-carboxamide?
The InChIKey is MEBASIBABPKFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c18-13-3-1-12(2-4-13)15-8-19-17(23-15)16(22)20-14-7-11-5-6-21(9-11)10-14/h1-4,8,11,14H,5-7,9-10H2,(H,20,22).
What are the key properties of N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)-1,3-oxazole-2-carboxamide?
N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)-1,3-oxazole-2-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 22350338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).