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

C11H17N3O2 — CID 53167789

IUPACN-butan-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
SMILESCCC(C)NC(=O)c1cn2c(n1)COCC2
InChIInChI=1S/C11H17N3O2/c1-3-8(2)12-11(15)9-6-14-4-5-16-7-10(14)13-9/h6,8H,3-5,7H2,1-2H3,(H,12,15)
InChIKeyAQCWNVJKWRIKDQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.94
Rot. Bonds3

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

N-butan-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 53167789) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-butan-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
PubChem CID53167789
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-butan-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
SMILESCCC(C)NC(=O)c1cn2c(n1)COCC2
InChIInChI=1S/C11H17N3O2/c1-3-8(2)12-11(15)9-6-14-4-5-16-7-10(14)13-9/h6,8H,3-5,7H2,1-2H3,(H,12,15)
InChIKeyAQCWNVJKWRIKDQ-UHFFFAOYSA-N
XLogP0.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of N-butan-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide (CID 53167789) is N-butan-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide is CCC(C)NC(=O)c1cn2c(n1)COCC2.
What is the InChIKey of N-butan-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is AQCWNVJKWRIKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-8(2)12-11(15)9-6-14-4-5-16-7-10(14)13-9/h6,8H,3-5,7H2,1-2H3,(H,12,15).
What are the key properties of N-butan-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide?
N-butan-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 53167789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).