N-hydroxy-3-methylsulfanyl-2-(1,3-oxazol-2-ylamino)propanamide

C7H11N3O3S — CID 163999700

IUPACN-hydroxy-3-methylsulfanyl-2-(1,3-oxazol-2-ylamino)propanamide
SMILESCSCC(Nc1ncco1)C(=O)NO
InChIInChI=1S/C7H11N3O3S/c1-14-4-5(6(11)10-12)9-7-8-2-3-13-7/h2-3,5,12H,4H2,1H3,(H,8,9)(H,10,11)
InChIKeyUHWILEAZZSIGKZ-UHFFFAOYSA-N
MW217.25 g/mol
LogP0.32
Rot. Bonds5

About N-hydroxy-3-methylsulfanyl-2-(1,3-oxazol-2-ylamino)propanamide

N-hydroxy-3-methylsulfanyl-2-(1,3-oxazol-2-ylamino)propanamide (PubChem CID 163999700) has the molecular formula C7H11N3O3S and a molecular weight of 217.25 g/mol. Its IUPAC name is N-hydroxy-3-methylsulfanyl-2-(1,3-oxazol-2-ylamino)propanamide.

Molecular Properties

Compound NameN-hydroxy-3-methylsulfanyl-2-(1,3-oxazol-2-ylamino)propanamide
PubChem CID163999700
Molecular FormulaC7H11N3O3S
Molecular Weight217.25 g/mol
Exact Mass217.05
IUPAC NameN-hydroxy-3-methylsulfanyl-2-(1,3-oxazol-2-ylamino)propanamide
SMILESCSCC(Nc1ncco1)C(=O)NO
InChIInChI=1S/C7H11N3O3S/c1-14-4-5(6(11)10-12)9-7-8-2-3-13-7/h2-3,5,12H,4H2,1H3,(H,8,9)(H,10,11)
InChIKeyUHWILEAZZSIGKZ-UHFFFAOYSA-N
XLogP0.32
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-methylsulfanyl-2-(1,3-oxazol-2-ylamino)propanamide?
The IUPAC name of N-hydroxy-3-methylsulfanyl-2-(1,3-oxazol-2-ylamino)propanamide (CID 163999700) is N-hydroxy-3-methylsulfanyl-2-(1,3-oxazol-2-ylamino)propanamide.
What is the SMILES notation for N-hydroxy-3-methylsulfanyl-2-(1,3-oxazol-2-ylamino)propanamide?
The canonical SMILES for N-hydroxy-3-methylsulfanyl-2-(1,3-oxazol-2-ylamino)propanamide is CSCC(Nc1ncco1)C(=O)NO.
What is the InChIKey of N-hydroxy-3-methylsulfanyl-2-(1,3-oxazol-2-ylamino)propanamide?
The InChIKey is UHWILEAZZSIGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3S/c1-14-4-5(6(11)10-12)9-7-8-2-3-13-7/h2-3,5,12H,4H2,1H3,(H,8,9)(H,10,11).
What are the key properties of N-hydroxy-3-methylsulfanyl-2-(1,3-oxazol-2-ylamino)propanamide?
N-hydroxy-3-methylsulfanyl-2-(1,3-oxazol-2-ylamino)propanamide has a molecular weight of 217.25 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-methylsulfanyl-2-(1,3-oxazol-2-ylamino)propanamide is sourced from PubChem (CID 163999700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).