N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C14H17N3O4 — CID 99852410

IUPACN-[(3S,4S)-4-methoxypyrrolidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCO[C@H]1CNC[C@@H]1NC(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C14H17N3O4/c1-20-12-7-15-6-9(12)16-13(18)8-17-10-4-2-3-5-11(10)21-14(17)19/h2-5,9,12,15H,6-8H2,1H3,(H,16,18)/t9-,12-/m0/s1
InChIKeySIAFEHICGPEBHP-CABZTGNLSA-N
MW291.31 g/mol
LogP-0.30
Rot. Bonds4

About N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 99852410) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-methoxypyrrolidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID99852410
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC NameN-[(3S,4S)-4-methoxypyrrolidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCO[C@H]1CNC[C@@H]1NC(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C14H17N3O4/c1-20-12-7-15-6-9(12)16-13(18)8-17-10-4-2-3-5-11(10)21-14(17)19/h2-5,9,12,15H,6-8H2,1H3,(H,16,18)/t9-,12-/m0/s1
InChIKeySIAFEHICGPEBHP-CABZTGNLSA-N
XLogP-0.30
TPSA85.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide with MolForge

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Related Compounds

N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 104957458
N-[(1R,2R)-2-hydroxycyclohexyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 104927452
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 17413485
N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3580508
ethyl 4-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 23794461
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 91770090
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 52907105
N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4808042
N-(2-ethylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 115612682
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 99838523
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(propan-2-ylideneamino)acetamide
CID 89398509

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 99852410) is N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is CO[C@H]1CNC[C@@H]1NC(=O)Cn1c(=O)oc2ccccc21.
What is the InChIKey of N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is SIAFEHICGPEBHP-CABZTGNLSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-20-12-7-15-6-9(12)16-13(18)8-17-10-4-2-3-5-11(10)21-14(17)19/h2-5,9,12,15H,6-8H2,1H3,(H,16,18)/t9-,12-/m0/s1.
What are the key properties of N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 291.31 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 99852410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).