N-methyl-5-propyl-4,5-dihydro-1,2-oxazole-3-carboxamide

C8H14N2O2 — CID 53359296

IUPACN-methyl-5-propyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCCCC1CC(C(=O)NC)=NO1
InChIInChI=1S/C8H14N2O2/c1-3-4-6-5-7(10-12-6)8(11)9-2/h6H,3-5H2,1-2H3,(H,9,11)
InChIKeySQBFHIVIOUDNEO-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.68
Rot. Bonds3

About N-methyl-5-propyl-4,5-dihydro-1,2-oxazole-3-carboxamide

N-methyl-5-propyl-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 53359296) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N-methyl-5-propyl-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-propyl-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID53359296
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC NameN-methyl-5-propyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCCCC1CC(C(=O)NC)=NO1
InChIInChI=1S/C8H14N2O2/c1-3-4-6-5-7(10-12-6)8(11)9-2/h6H,3-5H2,1-2H3,(H,9,11)
InChIKeySQBFHIVIOUDNEO-UHFFFAOYSA-N
XLogP0.68
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-propyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of N-methyl-5-propyl-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 53359296) is N-methyl-5-propyl-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-propyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-methyl-5-propyl-4,5-dihydro-1,2-oxazole-3-carboxamide is CCCC1CC(C(=O)NC)=NO1.
What is the InChIKey of N-methyl-5-propyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is SQBFHIVIOUDNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-3-4-6-5-7(10-12-6)8(11)9-2/h6H,3-5H2,1-2H3,(H,9,11).
What are the key properties of N-methyl-5-propyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
N-methyl-5-propyl-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 170.21 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-propyl-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 53359296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).