N-(4-methylsulfanylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide

C14H15N3O2S — CID 53167805

IUPACN-(4-methylsulfanylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
SMILESCSc1ccc(NC(=O)c2cn3c(n2)COCC3)cc1
InChIInChI=1S/C14H15N3O2S/c1-20-11-4-2-10(3-5-11)15-14(18)12-8-17-6-7-19-9-13(17)16-12/h2-5,8H,6-7,9H2,1H3,(H,15,18)
InChIKeyYEKYVYTXYXHFKJ-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.39
Rot. Bonds3

About N-(4-methylsulfanylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide

N-(4-methylsulfanylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 53167805) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(4-methylsulfanylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylsulfanylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
PubChem CID53167805
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-(4-methylsulfanylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
SMILESCSc1ccc(NC(=O)c2cn3c(n2)COCC3)cc1
InChIInChI=1S/C14H15N3O2S/c1-20-11-4-2-10(3-5-11)15-14(18)12-8-17-6-7-19-9-13(17)16-12/h2-5,8H,6-7,9H2,1H3,(H,15,18)
InChIKeyYEKYVYTXYXHFKJ-UHFFFAOYSA-N
XLogP2.39
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of N-(4-methylsulfanylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide (CID 53167805) is N-(4-methylsulfanylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for N-(4-methylsulfanylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for N-(4-methylsulfanylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide is CSc1ccc(NC(=O)c2cn3c(n2)COCC3)cc1.
What is the InChIKey of N-(4-methylsulfanylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is YEKYVYTXYXHFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-20-11-4-2-10(3-5-11)15-14(18)12-8-17-6-7-19-9-13(17)16-12/h2-5,8H,6-7,9H2,1H3,(H,15,18).
What are the key properties of N-(4-methylsulfanylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide?
N-(4-methylsulfanylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 53167805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).