N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-[methyl-[(3R)-thiolan-3-yl]amino]acetamide

C15H19N3O3S — CID 97329451

IUPACN-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-[methyl-[(3R)-thiolan-3-yl]amino]acetamide
SMILESCN(CC(=O)Nc1ccc2oc(=O)n(C)c2c1)[C@@H]1CCSC1
InChIInChI=1S/C15H19N3O3S/c1-17(11-5-6-22-9-11)8-14(19)16-10-3-4-13-12(7-10)18(2)15(20)21-13/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,16,19)/t11-/m1/s1
InChIKeyBSHUYUBTESOXAE-LLVKDONJSA-N
MW321.40 g/mol
LogP1.51
Rot. Bonds4

About N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-[methyl-[(3R)-thiolan-3-yl]amino]acetamide

N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-[methyl-[(3R)-thiolan-3-yl]amino]acetamide (PubChem CID 97329451) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-[methyl-[(3R)-thiolan-3-yl]amino]acetamide.

Molecular Properties

Compound NameN-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-[methyl-[(3R)-thiolan-3-yl]amino]acetamide
PubChem CID97329451
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-[methyl-[(3R)-thiolan-3-yl]amino]acetamide
SMILESCN(CC(=O)Nc1ccc2oc(=O)n(C)c2c1)[C@@H]1CCSC1
InChIInChI=1S/C15H19N3O3S/c1-17(11-5-6-22-9-11)8-14(19)16-10-3-4-13-12(7-10)18(2)15(20)21-13/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,16,19)/t11-/m1/s1
InChIKeyBSHUYUBTESOXAE-LLVKDONJSA-N
XLogP1.51
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(methylamino)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 83547008
N-(4-chloro-3-methylphenyl)-2-[methyl(thian-4-yl)amino]acetamide
CID 91843440
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-thiomorpholin-3-ylacetamide
CID 119938369
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 110608029
(2S,5R)-5-(aminomethyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)oxolane-2-carboxamide
CID 120791570
N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-(1-hydroxycyclopentyl)acetamide
CID 111432562
2,2,2-trifluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 115190137
(2S,4S)-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-methylpiperidine-4-carboxamide
CID 120634766
3-(2-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 110607968
1-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-propan-2-ylurea
CID 23505699
N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119869173
(2S,4S)-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120634765

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-[methyl-[(3R)-thiolan-3-yl]amino]acetamide?
The IUPAC name of N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-[methyl-[(3R)-thiolan-3-yl]amino]acetamide (CID 97329451) is N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-[methyl-[(3R)-thiolan-3-yl]amino]acetamide.
What is the SMILES notation for N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-[methyl-[(3R)-thiolan-3-yl]amino]acetamide?
The canonical SMILES for N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-[methyl-[(3R)-thiolan-3-yl]amino]acetamide is CN(CC(=O)Nc1ccc2oc(=O)n(C)c2c1)[C@@H]1CCSC1.
What is the InChIKey of N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-[methyl-[(3R)-thiolan-3-yl]amino]acetamide?
The InChIKey is BSHUYUBTESOXAE-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-17(11-5-6-22-9-11)8-14(19)16-10-3-4-13-12(7-10)18(2)15(20)21-13/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,16,19)/t11-/m1/s1.
What are the key properties of N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-[methyl-[(3R)-thiolan-3-yl]amino]acetamide?
N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-[methyl-[(3R)-thiolan-3-yl]amino]acetamide has a molecular weight of 321.40 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-[methyl-[(3R)-thiolan-3-yl]amino]acetamide is sourced from PubChem (CID 97329451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).