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

C7H12N2O2 — CID 20523847

IUPACN-propyl-4,5-dihydro-1,3-oxazole-2-carboxamide
SMILESCCCNC(=O)C1=NCCO1
InChIInChI=1S/C7H12N2O2/c1-2-3-8-6(10)7-9-4-5-11-7/h2-5H2,1H3,(H,8,10)
InChIKeyZQYWIYWFAKLTFY-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.06
Rot. Bonds3

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

N-propyl-4,5-dihydro-1,3-oxazole-2-carboxamide (PubChem CID 20523847) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is N-propyl-4,5-dihydro-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-propyl-4,5-dihydro-1,3-oxazole-2-carboxamide
PubChem CID20523847
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC NameN-propyl-4,5-dihydro-1,3-oxazole-2-carboxamide
SMILESCCCNC(=O)C1=NCCO1
InChIInChI=1S/C7H12N2O2/c1-2-3-8-6(10)7-9-4-5-11-7/h2-5H2,1H3,(H,8,10)
InChIKeyZQYWIYWFAKLTFY-UHFFFAOYSA-N
XLogP-0.06
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyl-4,5-dihydro-1,3-oxazole-2-carboxamide?
The IUPAC name of N-propyl-4,5-dihydro-1,3-oxazole-2-carboxamide (CID 20523847) is N-propyl-4,5-dihydro-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-propyl-4,5-dihydro-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-propyl-4,5-dihydro-1,3-oxazole-2-carboxamide is CCCNC(=O)C1=NCCO1.
What is the InChIKey of N-propyl-4,5-dihydro-1,3-oxazole-2-carboxamide?
The InChIKey is ZQYWIYWFAKLTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-2-3-8-6(10)7-9-4-5-11-7/h2-5H2,1H3,(H,8,10).
What are the key properties of N-propyl-4,5-dihydro-1,3-oxazole-2-carboxamide?
N-propyl-4,5-dihydro-1,3-oxazole-2-carboxamide has a molecular weight of 156.19 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4,5-dihydro-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 20523847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).