methane;N-methyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

C11H15N3O2 — CID 158928882

IUPACmethane;N-methyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESC.CNC(=O)C1CC(c2cccnc2)=NO1
InChIInChI=1S/C10H11N3O2.CH4/c1-11-10(14)9-5-8(13-15-9)7-3-2-4-12-6-7;/h2-4,6,9H,5H2,1H3,(H,11,14);1H4
InChIKeyJIUGEMLAULMVCC-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.96
Rot. Bonds2

About methane;N-methyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

methane;N-methyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 158928882) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is methane;N-methyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Namemethane;N-methyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID158928882
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Namemethane;N-methyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESC.CNC(=O)C1CC(c2cccnc2)=NO1
InChIInChI=1S/C10H11N3O2.CH4/c1-11-10(14)9-5-8(13-15-9)7-3-2-4-12-6-7;/h2-4,6,9H,5H2,1H3,(H,11,14);1H4
InChIKeyJIUGEMLAULMVCC-UHFFFAOYSA-N
XLogP0.96
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-benzylphenyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 18510700
1-phenyl-3-[[(5R)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]urea
CID 1481517
(5R)-N'-(benzenesulfonyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbohydrazide
CID 1485121
(5S)-N-[4-[(2-chlorophenyl)methyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 69194046
N-[4-[hydroxy(diphenyl)methyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 18510682
(5S)-N-[4-[chloro(phenyl)methyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 69194040
(5R)-3-phenyl-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 129360275
N'-hydroxy-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboximidamide
CID 18510754
2-phenyl-2-[4-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]phenyl]acetyl chloride
CID 86590906
(5R)-3-(3,4-dichlorophenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 7085447
1-(4-bromo-2-fluorophenyl)-3-[[(5R)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]thiourea
CID 40852945
N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 42816802

Frequently Asked Questions

What is the IUPAC name of methane;N-methyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of methane;N-methyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 158928882) is methane;N-methyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for methane;N-methyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for methane;N-methyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is C.CNC(=O)C1CC(c2cccnc2)=NO1.
What is the InChIKey of methane;N-methyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is JIUGEMLAULMVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2.CH4/c1-11-10(14)9-5-8(13-15-9)7-3-2-4-12-6-7;/h2-4,6,9H,5H2,1H3,(H,11,14);1H4.
What are the key properties of methane;N-methyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
methane;N-methyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-methyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 158928882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).