N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2,2-dimethylpropanamide

C20H33N3O3 — CID 56774208

IUPACN-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N[C@H]1C[C@@H](Cc2cc(CN3CCOCC3)on2)C1(C)C
InChIInChI=1S/C20H33N3O3/c1-19(2,3)18(24)21-17-11-14(20(17,4)5)10-15-12-16(26-22-15)13-23-6-8-25-9-7-23/h12,14,17H,6-11,13H2,1-5H3,(H,21,24)/t14-,17+/m1/s1
InChIKeyUQCMILNVGXVIKC-PBHICJAKSA-N
MW363.50 g/mol
LogP2.63
Rot. Bonds5

About N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2,2-dimethylpropanamide

N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2,2-dimethylpropanamide (PubChem CID 56774208) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2,2-dimethylpropanamide
PubChem CID56774208
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC NameN-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N[C@H]1C[C@@H](Cc2cc(CN3CCOCC3)on2)C1(C)C
InChIInChI=1S/C20H33N3O3/c1-19(2,3)18(24)21-17-11-14(20(17,4)5)10-15-12-16(26-22-15)13-23-6-8-25-9-7-23/h12,14,17H,6-11,13H2,1-5H3,(H,21,24)/t14-,17+/m1/s1
InChIKeyUQCMILNVGXVIKC-PBHICJAKSA-N
XLogP2.63
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2,2-dimethylpropanamide (CID 56774208) is N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)N[C@H]1C[C@@H](Cc2cc(CN3CCOCC3)on2)C1(C)C.
What is the InChIKey of N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2,2-dimethylpropanamide?
The InChIKey is UQCMILNVGXVIKC-PBHICJAKSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-19(2,3)18(24)21-17-11-14(20(17,4)5)10-15-12-16(26-22-15)13-23-6-8-25-9-7-23/h12,14,17H,6-11,13H2,1-5H3,(H,21,24)/t14-,17+/m1/s1.
What are the key properties of N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2,2-dimethylpropanamide?
N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2,2-dimethylpropanamide has a molecular weight of 363.50 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 56774208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).