N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide

C19H24N4O2 — CID 128753344

IUPACN-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide
SMILESCc1coc(-c2cc(NC(=O)N3C4CCNCC3CC4)ccc2C)n1
InChIInChI=1S/C19H24N4O2/c1-12-3-4-14(9-17(12)18-21-13(2)11-25-18)22-19(24)23-15-5-6-16(23)10-20-8-7-15/h3-4,9,11,15-16,20H,5-8,10H2,1-2H3,(H,22,24)
InChIKeyWCXMFFRAXGNVBD-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.32
Rot. Bonds2

About N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide

N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide (PubChem CID 128753344) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide
PubChem CID128753344
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide
SMILESCc1coc(-c2cc(NC(=O)N3C4CCNCC3CC4)ccc2C)n1
InChIInChI=1S/C19H24N4O2/c1-12-3-4-14(9-17(12)18-21-13(2)11-25-18)22-19(24)23-15-5-6-16(23)10-20-8-7-15/h3-4,9,11,15-16,20H,5-8,10H2,1-2H3,(H,22,24)
InChIKeyWCXMFFRAXGNVBD-UHFFFAOYSA-N
XLogP3.32
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide with MolForge

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Related Compounds

N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119818830
5-methyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119818788
(1S,6R)-N-(4-acetylphenyl)-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide
CID 50974392
N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-7-azabicyclo[2.2.1]heptan-7-amine
CID 176940456
2-hydroxy-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide
CID 110016334
1-[[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122087034
(2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 176940437
(2R,6S)-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide
CID 128617710
(2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide;molecular hydrogen
CID 176940436
3-amino-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide
CID 119818797
(1S)-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-azabicyclo[2.2.1]heptan-2-amine
CID 176940655
7-fluoro-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 176940660

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide?
The IUPAC name of N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide (CID 128753344) is N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide?
The canonical SMILES for N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide is Cc1coc(-c2cc(NC(=O)N3C4CCNCC3CC4)ccc2C)n1.
What is the InChIKey of N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide?
The InChIKey is WCXMFFRAXGNVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12-3-4-14(9-17(12)18-21-13(2)11-25-18)22-19(24)23-15-5-6-16(23)10-20-8-7-15/h3-4,9,11,15-16,20H,5-8,10H2,1-2H3,(H,22,24).
What are the key properties of N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide?
N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide is sourced from PubChem (CID 128753344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).