N-butyl-N-methyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide

C12H19N3O2 — CID 86771521

IUPACN-butyl-N-methyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cn2c(n1)COCC2
InChIInChI=1S/C12H19N3O2/c1-3-4-5-14(2)12(16)10-8-15-6-7-17-9-11(15)13-10/h8H,3-7,9H2,1-2H3
InChIKeyJMBJMLYINVRQOC-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.29
Rot. Bonds4

About N-butyl-N-methyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide

N-butyl-N-methyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 86771521) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-butyl-N-methyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
PubChem CID86771521
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-butyl-N-methyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cn2c(n1)COCC2
InChIInChI=1S/C12H19N3O2/c1-3-4-5-14(2)12(16)10-8-15-6-7-17-9-11(15)13-10/h8H,3-7,9H2,1-2H3
InChIKeyJMBJMLYINVRQOC-UHFFFAOYSA-N
XLogP1.29
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of N-butyl-N-methyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide (CID 86771521) is N-butyl-N-methyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for N-butyl-N-methyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide is CCCCN(C)C(=O)c1cn2c(n1)COCC2.
What is the InChIKey of N-butyl-N-methyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is JMBJMLYINVRQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-4-5-14(2)12(16)10-8-15-6-7-17-9-11(15)13-10/h8H,3-7,9H2,1-2H3.
What are the key properties of N-butyl-N-methyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide?
N-butyl-N-methyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 86771521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).