1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(3S)-1,1-dioxothiolan-3-yl]urea

C11H17N3O4S — CID 95144868

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(3S)-1,1-dioxothiolan-3-yl]urea
SMILESCc1noc(C)c1CNC(=O)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C11H17N3O4S/c1-7-10(8(2)18-14-7)5-12-11(15)13-9-3-4-19(16,17)6-9/h9H,3-6H2,1-2H3,(H2,12,13,15)/t9-/m0/s1
InChIKeyMNGFTNFTUFQNOV-VIFPVBQESA-N
MW287.34 g/mol
LogP0.28
Rot. Bonds3

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(3S)-1,1-dioxothiolan-3-yl]urea

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(3S)-1,1-dioxothiolan-3-yl]urea (PubChem CID 95144868) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(3S)-1,1-dioxothiolan-3-yl]urea.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(3S)-1,1-dioxothiolan-3-yl]urea
PubChem CID95144868
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(3S)-1,1-dioxothiolan-3-yl]urea
SMILESCc1noc(C)c1CNC(=O)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C11H17N3O4S/c1-7-10(8(2)18-14-7)5-12-11(15)13-9-3-4-19(16,17)6-9/h9H,3-6H2,1-2H3,(H2,12,13,15)/t9-/m0/s1
InChIKeyMNGFTNFTUFQNOV-VIFPVBQESA-N
XLogP0.28
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(3S)-1,1-dioxothiolan-3-yl]urea with MolForge

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
CID 94991534
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(3R)-1,1-dioxothiolan-3-yl]methanamine
CID 93420640
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 79234307
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 51925382
1-[(4-chloro-3-methylphenyl)methyl]-3-(1,1-dioxothiolan-3-yl)urea
CID 75521780
1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(1,1-dioxothiolan-3-yl)urea
CID 51081511
1,3-bis(1,1-dioxothiolan-3-yl)urea
CID 2831152
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 110295831
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R,2R)-2-phenylcyclopropyl]urea
CID 95302935
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[6-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]hexyl]urea
CID 51522467
N-(1,1-dioxothiolan-3-yl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110691884
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 43424917

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(3S)-1,1-dioxothiolan-3-yl]urea?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(3S)-1,1-dioxothiolan-3-yl]urea (CID 95144868) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(3S)-1,1-dioxothiolan-3-yl]urea.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(3S)-1,1-dioxothiolan-3-yl]urea?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(3S)-1,1-dioxothiolan-3-yl]urea is Cc1noc(C)c1CNC(=O)N[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(3S)-1,1-dioxothiolan-3-yl]urea?
The InChIKey is MNGFTNFTUFQNOV-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-7-10(8(2)18-14-7)5-12-11(15)13-9-3-4-19(16,17)6-9/h9H,3-6H2,1-2H3,(H2,12,13,15)/t9-/m0/s1.
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(3S)-1,1-dioxothiolan-3-yl]urea?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(3S)-1,1-dioxothiolan-3-yl]urea has a molecular weight of 287.34 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(3S)-1,1-dioxothiolan-3-yl]urea is sourced from PubChem (CID 95144868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).