N-[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclobutanecarboxamide

C18H29N3O2 — CID 56774030

IUPACN-[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclobutanecarboxamide
SMILESCN(C)Cc1cc(C[C@@H]2C[C@H](NC(=O)C3CCC3)C2(C)C)no1
InChIInChI=1S/C18H29N3O2/c1-18(2)13(8-14-10-15(23-20-14)11-21(3)4)9-16(18)19-17(22)12-6-5-7-12/h10,12-13,16H,5-9,11H2,1-4H3,(H,19,22)/t13-,16+/m1/s1
InChIKeyCKRZPYUIJXXSFD-CJNGLKHVSA-N
MW319.45 g/mol
LogP2.61
Rot. Bonds6

About N-[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclobutanecarboxamide

N-[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclobutanecarboxamide (PubChem CID 56774030) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclobutanecarboxamide
PubChem CID56774030
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclobutanecarboxamide
SMILESCN(C)Cc1cc(C[C@@H]2C[C@H](NC(=O)C3CCC3)C2(C)C)no1
InChIInChI=1S/C18H29N3O2/c1-18(2)13(8-14-10-15(23-20-14)11-21(3)4)9-16(18)19-17(22)12-6-5-7-12/h10,12-13,16H,5-9,11H2,1-4H3,(H,19,22)/t13-,16+/m1/s1
InChIKeyCKRZPYUIJXXSFD-CJNGLKHVSA-N
XLogP2.61
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclobutanecarboxamide?
The IUPAC name of N-[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclobutanecarboxamide (CID 56774030) is N-[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclobutanecarboxamide is CN(C)Cc1cc(C[C@@H]2C[C@H](NC(=O)C3CCC3)C2(C)C)no1.
What is the InChIKey of N-[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclobutanecarboxamide?
The InChIKey is CKRZPYUIJXXSFD-CJNGLKHVSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-18(2)13(8-14-10-15(23-20-14)11-21(3)4)9-16(18)19-17(22)12-6-5-7-12/h10,12-13,16H,5-9,11H2,1-4H3,(H,19,22)/t13-,16+/m1/s1.
What are the key properties of N-[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclobutanecarboxamide?
N-[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclobutanecarboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclobutanecarboxamide is sourced from PubChem (CID 56774030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).