N-propyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide

C8H14N2O2 — CID 20523829

IUPACN-propyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
SMILESCCCNC(=O)C1=NCCCO1
InChIInChI=1S/C8H14N2O2/c1-2-4-9-7(11)8-10-5-3-6-12-8/h2-6H2,1H3,(H,9,11)
InChIKeyPMJZYQWTGBRJIF-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.33
Rot. Bonds3

About N-propyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide

N-propyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide (PubChem CID 20523829) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N-propyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide.

Molecular Properties

Compound NameN-propyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
PubChem CID20523829
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC NameN-propyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
SMILESCCCNC(=O)C1=NCCCO1
InChIInChI=1S/C8H14N2O2/c1-2-4-9-7(11)8-10-5-3-6-12-8/h2-6H2,1H3,(H,9,11)
InChIKeyPMJZYQWTGBRJIF-UHFFFAOYSA-N
XLogP0.33
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 ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,8-Dioxa-4,11-diazacyclotetradecane-3,10-dione
CID 23330011
2-ethoxy-N-propylacetamide
CID 4608740
2,2'-Oxybis(N-propylacetamide)
CID 13126648
N-pentyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523756
N-propan-2-yl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523757
N-hexyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523758
N-methyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523763
N-hexyl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523773
N-propan-2-yl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523776
N-ethyl-4,4-dimethyl-5H-1,3-oxazole-2-carboxamide
CID 20523777
N-butyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523780
N-butyl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523781

Frequently Asked Questions

What is the IUPAC name of N-propyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The IUPAC name of N-propyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide (CID 20523829) is N-propyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide.
What is the SMILES notation for N-propyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The canonical SMILES for N-propyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide is CCCNC(=O)C1=NCCCO1.
What is the InChIKey of N-propyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The InChIKey is PMJZYQWTGBRJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-2-4-9-7(11)8-10-5-3-6-12-8/h2-6H2,1H3,(H,9,11).
What are the key properties of N-propyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
N-propyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide has a molecular weight of 170.21 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide is sourced from PubChem (CID 20523829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).