9-amino-N-[3-(1,3-oxazol-5-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide

C19H23N3O2 — CID 120986715

IUPAC9-amino-N-[3-(1,3-oxazol-5-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESNC1C2CCCC1CC(C(=O)Nc1cccc(-c3cnco3)c1)C2
InChIInChI=1S/C19H23N3O2/c20-18-13-4-1-5-14(18)8-15(7-13)19(23)22-16-6-2-3-12(9-16)17-10-21-11-24-17/h2-3,6,9-11,13-15,18H,1,4-5,7-8,20H2,(H,22,23)
InChIKeyFWXRIDLSVRKZRB-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.43
Rot. Bonds3

About 9-amino-N-[3-(1,3-oxazol-5-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-[3-(1,3-oxazol-5-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120986715) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 9-amino-N-[3-(1,3-oxazol-5-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-[3-(1,3-oxazol-5-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120986715
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name9-amino-N-[3-(1,3-oxazol-5-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESNC1C2CCCC1CC(C(=O)Nc1cccc(-c3cnco3)c1)C2
InChIInChI=1S/C19H23N3O2/c20-18-13-4-1-5-14(18)8-15(7-13)19(23)22-16-6-2-3-12(9-16)17-10-21-11-24-17/h2-3,6,9-11,13-15,18H,1,4-5,7-8,20H2,(H,22,23)
InChIKeyFWXRIDLSVRKZRB-UHFFFAOYSA-N
XLogP3.43
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(1,3-oxazol-5-yl)phenyl]cyclohexane-1-carboxamide
CID 64823770
9-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985667
9-amino-N-[3-(2-methylpyrimidin-4-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985661
(2R)-1-(cyclohexanecarbonyl)-N-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidine-2-carboxamide
CID 95350172
1-cyclohexyl-1-methyl-3-[3-(1,3-oxazol-5-yl)phenyl]urea
CID 72886720
9-amino-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988682
9-amino-N-[3-(2-methylpropanoylamino)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985581
1-naphthalen-2-ylsulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide
CID 55834624
9-amino-N-[3-(methoxymethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985468
9-amino-N-[3-(butanoylamino)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986622
9-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985547
1-(3-chloro-4-fluorophenyl)sulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide
CID 55834748

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[3-(1,3-oxazol-5-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-[3-(1,3-oxazol-5-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide (CID 120986715) is 9-amino-N-[3-(1,3-oxazol-5-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-[3-(1,3-oxazol-5-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-[3-(1,3-oxazol-5-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide is NC1C2CCCC1CC(C(=O)Nc1cccc(-c3cnco3)c1)C2.
What is the InChIKey of 9-amino-N-[3-(1,3-oxazol-5-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is FWXRIDLSVRKZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c20-18-13-4-1-5-14(18)8-15(7-13)19(23)22-16-6-2-3-12(9-16)17-10-21-11-24-17/h2-3,6,9-11,13-15,18H,1,4-5,7-8,20H2,(H,22,23).
What are the key properties of 9-amino-N-[3-(1,3-oxazol-5-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-[3-(1,3-oxazol-5-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[3-(1,3-oxazol-5-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120986715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).