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

C19H31N3O2 — CID 56774031

IUPACN-[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclopentanecarboxamide
SMILESCN(C)Cc1cc(C[C@@H]2C[C@H](NC(=O)C3CCCC3)C2(C)C)no1
InChIInChI=1S/C19H31N3O2/c1-19(2)14(9-15-11-16(24-21-15)12-22(3)4)10-17(19)20-18(23)13-7-5-6-8-13/h11,13-14,17H,5-10,12H2,1-4H3,(H,20,23)/t14-,17+/m1/s1
InChIKeyVQFLRGKCFFEQBP-PBHICJAKSA-N
MW333.48 g/mol
LogP3.00
Rot. Bonds6

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

N-[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclopentanecarboxamide (PubChem CID 56774031) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclopentanecarboxamide
PubChem CID56774031
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclopentanecarboxamide
SMILESCN(C)Cc1cc(C[C@@H]2C[C@H](NC(=O)C3CCCC3)C2(C)C)no1
InChIInChI=1S/C19H31N3O2/c1-19(2)14(9-15-11-16(24-21-15)12-22(3)4)10-17(19)20-18(23)13-7-5-6-8-13/h11,13-14,17H,5-10,12H2,1-4H3,(H,20,23)/t14-,17+/m1/s1
InChIKeyVQFLRGKCFFEQBP-PBHICJAKSA-N
XLogP3.00
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.00
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]cyclopentanecarboxamide?
The IUPAC name of N-[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclopentanecarboxamide (CID 56774031) is N-[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclopentanecarboxamide is CN(C)Cc1cc(C[C@@H]2C[C@H](NC(=O)C3CCCC3)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]cyclopentanecarboxamide?
The InChIKey is VQFLRGKCFFEQBP-PBHICJAKSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-19(2)14(9-15-11-16(24-21-15)12-22(3)4)10-17(19)20-18(23)13-7-5-6-8-13/h11,13-14,17H,5-10,12H2,1-4H3,(H,20,23)/t14-,17+/m1/s1.
What are the key properties of N-[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclopentanecarboxamide?
N-[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclopentanecarboxamide has a molecular weight of 333.48 g/mol, XLogP of 3.00, 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]cyclopentanecarboxamide is sourced from PubChem (CID 56774031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).