N-[(3-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide

C15H17N3O2 — CID 71838130

IUPACN-[(3-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
SMILESCc1cccc(CNC(=O)c2cn3c(n2)COCC3)c1
InChIInChI=1S/C15H17N3O2/c1-11-3-2-4-12(7-11)8-16-15(19)13-9-18-5-6-20-10-14(18)17-13/h2-4,7,9H,5-6,8,10H2,1H3,(H,16,19)
InChIKeyPUKNBACTHZUILE-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.65
Rot. Bonds3

About N-[(3-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide

N-[(3-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 71838130) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
PubChem CID71838130
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-[(3-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
SMILESCc1cccc(CNC(=O)c2cn3c(n2)COCC3)c1
InChIInChI=1S/C15H17N3O2/c1-11-3-2-4-12(7-11)8-16-15(19)13-9-18-5-6-20-10-14(18)17-13/h2-4,7,9H,5-6,8,10H2,1H3,(H,16,19)
InChIKeyPUKNBACTHZUILE-UHFFFAOYSA-N
XLogP1.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[(3-methylphenyl)methyl]triazole-4-carboxamide
CID 110691577
6-N-[(3-methylphenyl)methyl]-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097409
7-methyl-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110850843
4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 5289109
N-[(3-methylphenyl)methyl]-3-morpholin-4-yl-3-oxopropanamide
CID 108943433
N-[(3-methylphenyl)methyl]-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 108973043
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 47297279
(6S)-6-(3-methylphenyl)-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93013080
6-N,6-N-diethyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097429
2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3804725
7-(dimethylamino)-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53171784
2-N-[(3-methylphenyl)methyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096140

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide (CID 71838130) is N-[(3-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide is Cc1cccc(CNC(=O)c2cn3c(n2)COCC3)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is PUKNBACTHZUILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-3-2-4-12(7-11)8-16-15(19)13-9-18-5-6-20-10-14(18)17-13/h2-4,7,9H,5-6,8,10H2,1H3,(H,16,19).
What are the key properties of N-[(3-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide?
N-[(3-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 71838130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).