N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]prop-2-enamide

C16H24N2O5S — CID 89078444

IUPACN-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]prop-2-enamide
SMILESC=C(C(=O)Nc1cc(C(C)(C)CO)on1)S(=C)(=O)C1CCOCC1
InChIInChI=1S/C16H24N2O5S/c1-11(24(4,21)12-5-7-22-8-6-12)15(20)17-14-9-13(23-18-14)16(2,3)10-19/h9,12,19H,1,4-8,10H2,2-3H3,(H,17,18,20)
InChIKeyPHSHAWCMUKNODV-UHFFFAOYSA-N
MW356.44 g/mol
LogP1.29
Rot. Bonds6

About N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]prop-2-enamide

N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]prop-2-enamide (PubChem CID 89078444) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]prop-2-enamide
PubChem CID89078444
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC NameN-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]prop-2-enamide
SMILESC=C(C(=O)Nc1cc(C(C)(C)CO)on1)S(=C)(=O)C1CCOCC1
InChIInChI=1S/C16H24N2O5S/c1-11(24(4,21)12-5-7-22-8-6-12)15(20)17-14-9-13(23-18-14)16(2,3)10-19/h9,12,19H,1,4-8,10H2,2-3H3,(H,17,18,20)
InChIKeyPHSHAWCMUKNODV-UHFFFAOYSA-N
XLogP1.29
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopentylsulfonyl-N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide
CID 59267898
2-cyclopentylsulfonyl-N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide
CID 56603435
N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide
CID 45256132
2-(cyclopropylmethylsulfonyl)-N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide
CID 59267923
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(oxolan-3-yl)phenyl]urea
CID 166236097
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
CID 111976377
N-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-2,2-dimethyl-3-(oxan-4-ylsulfonyl)propanamide
CID 163430822
N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(oxane-4-carbonyl)morpholine-2-carboxamide
CID 58563856
1-N-(5-tert-butyl-1,2-oxazol-3-yl)-4-N-(oxan-4-yl)-1,4-diazepane-1,4-dicarboxamide
CID 54583927
N-(5-methyl-1,2-oxazol-3-yl)oxane-4-carboxamide
CID 110690048
4-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-N-(oxan-4-yl)-3-oxobutane-2-sulfonamide
CID 59634246
N,2-dimethyl-3-[5-[[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]amino]-1,2-oxazol-3-yl]propanamide
CID 67309679

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]prop-2-enamide?
The IUPAC name of N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]prop-2-enamide (CID 89078444) is N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]prop-2-enamide.
What is the SMILES notation for N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]prop-2-enamide?
The canonical SMILES for N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]prop-2-enamide is C=C(C(=O)Nc1cc(C(C)(C)CO)on1)S(=C)(=O)C1CCOCC1.
What is the InChIKey of N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]prop-2-enamide?
The InChIKey is PHSHAWCMUKNODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-11(24(4,21)12-5-7-22-8-6-12)15(20)17-14-9-13(23-18-14)16(2,3)10-19/h9,12,19H,1,4-8,10H2,2-3H3,(H,17,18,20).
What are the key properties of N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]prop-2-enamide?
N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]prop-2-enamide has a molecular weight of 356.44 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-[methylidene-(oxan-4-yl)-oxo-λ6-sulfanyl]prop-2-enamide is sourced from PubChem (CID 89078444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).