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

C15H17N3O2S — CID 53167826

IUPACN-[(4-methylsulfanylphenyl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
SMILESCSc1ccc(CNC(=O)c2cn3c(n2)COCC3)cc1
InChIInChI=1S/C15H17N3O2S/c1-21-12-4-2-11(3-5-12)8-16-15(19)13-9-18-6-7-20-10-14(18)17-13/h2-5,9H,6-8,10H2,1H3,(H,16,19)
InChIKeyCHDAIEBTLFQORV-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.07
Rot. Bonds4

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

N-[(4-methylsulfanylphenyl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 53167826) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[(4-methylsulfanylphenyl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methylsulfanylphenyl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
PubChem CID53167826
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-[(4-methylsulfanylphenyl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
SMILESCSc1ccc(CNC(=O)c2cn3c(n2)COCC3)cc1
InChIInChI=1S/C15H17N3O2S/c1-21-12-4-2-11(3-5-12)8-16-15(19)13-9-18-6-7-20-10-14(18)17-13/h2-5,9H,6-8,10H2,1H3,(H,16,19)
InChIKeyCHDAIEBTLFQORV-UHFFFAOYSA-N
XLogP2.07
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfanylphenyl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of N-[(4-methylsulfanylphenyl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide (CID 53167826) is N-[(4-methylsulfanylphenyl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for N-[(4-methylsulfanylphenyl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for N-[(4-methylsulfanylphenyl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide is CSc1ccc(CNC(=O)c2cn3c(n2)COCC3)cc1.
What is the InChIKey of N-[(4-methylsulfanylphenyl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is CHDAIEBTLFQORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-21-12-4-2-11(3-5-12)8-16-15(19)13-9-18-6-7-20-10-14(18)17-13/h2-5,9H,6-8,10H2,1H3,(H,16,19).
What are the key properties of N-[(4-methylsulfanylphenyl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide?
N-[(4-methylsulfanylphenyl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfanylphenyl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 53167826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).