N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)carbamoyl]formamide

C9H13N3O3 — CID 13342824

IUPACN-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)carbamoyl]formamide
SMILESCC(C)c1cc(NC(=O)N(C)C=O)on1
InChIInChI=1S/C9H13N3O3/c1-6(2)7-4-8(15-11-7)10-9(14)12(3)5-13/h4-6H,1-3H3,(H,10,14)
InChIKeyZTOFRGFPUITMAJ-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.42
Rot. Bonds3

About N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)carbamoyl]formamide

N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)carbamoyl]formamide (PubChem CID 13342824) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)carbamoyl]formamide.

Molecular Properties

Compound NameN-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)carbamoyl]formamide
PubChem CID13342824
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC NameN-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)carbamoyl]formamide
SMILESCC(C)c1cc(NC(=O)N(C)C=O)on1
InChIInChI=1S/C9H13N3O3/c1-6(2)7-4-8(15-11-7)10-9(14)12(3)5-13/h4-6H,1-3H3,(H,10,14)
InChIKeyZTOFRGFPUITMAJ-UHFFFAOYSA-N
XLogP1.42
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)carbamoyl]formamide?
The IUPAC name of N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)carbamoyl]formamide (CID 13342824) is N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)carbamoyl]formamide.
What is the SMILES notation for N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)carbamoyl]formamide?
The canonical SMILES for N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)carbamoyl]formamide is CC(C)c1cc(NC(=O)N(C)C=O)on1.
What is the InChIKey of N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)carbamoyl]formamide?
The InChIKey is ZTOFRGFPUITMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6(2)7-4-8(15-11-7)10-9(14)12(3)5-13/h4-6H,1-3H3,(H,10,14).
What are the key properties of N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)carbamoyl]formamide?
N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)carbamoyl]formamide has a molecular weight of 211.22 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)carbamoyl]formamide is sourced from PubChem (CID 13342824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).