5-methyl-N'-pyrimidin-2-yl-1,2-oxazole-3-carbohydrazide

C9H9N5O2 — CID 47414337

IUPAC5-methyl-N'-pyrimidin-2-yl-1,2-oxazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNc2ncccn2)no1
InChIInChI=1S/C9H9N5O2/c1-6-5-7(14-16-6)8(15)12-13-9-10-3-2-4-11-9/h2-5H,1H3,(H,12,15)(H,10,11,13)
InChIKeyCAOICRFNDOUELS-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.53
Rot. Bonds3

About 5-methyl-N'-pyrimidin-2-yl-1,2-oxazole-3-carbohydrazide

5-methyl-N'-pyrimidin-2-yl-1,2-oxazole-3-carbohydrazide (PubChem CID 47414337) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is 5-methyl-N'-pyrimidin-2-yl-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-methyl-N'-pyrimidin-2-yl-1,2-oxazole-3-carbohydrazide
PubChem CID47414337
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC Name5-methyl-N'-pyrimidin-2-yl-1,2-oxazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNc2ncccn2)no1
InChIInChI=1S/C9H9N5O2/c1-6-5-7(14-16-6)8(15)12-13-9-10-3-2-4-11-9/h2-5H,1H3,(H,12,15)(H,10,11,13)
InChIKeyCAOICRFNDOUELS-UHFFFAOYSA-N
XLogP0.53
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 1247385
N'-(6-fluoro-3-pyridinyl)-5-methyl-1,2-oxazole-3-carbohydrazide
CID 118064567
5-methyl-N'-(4-methylbenzoyl)-1,2-oxazole-3-carbohydrazide
CID 4109679
5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 2971561
5-(2-methylpropyl)-N'-pyrimidin-2-yl-1H-pyrazole-3-carbohydrazide
CID 87035340
5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 58725196
5-methyl-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide
CID 66157356
5-methyl-N-(4-pyrimidin-2-yloxan-4-yl)-1,2-oxazole-3-carboxamide
CID 138024785
N-cyano-5-methyl-1,2-oxazole-3-carboxamide
CID 79193768
1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-3-(3-methylphenyl)thiourea
CID 843903
N-(2-amino-2-oxoethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 60668189
5-methyl-N-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 3236095

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N'-pyrimidin-2-yl-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-methyl-N'-pyrimidin-2-yl-1,2-oxazole-3-carbohydrazide (CID 47414337) is 5-methyl-N'-pyrimidin-2-yl-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-methyl-N'-pyrimidin-2-yl-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-methyl-N'-pyrimidin-2-yl-1,2-oxazole-3-carbohydrazide is Cc1cc(C(=O)NNc2ncccn2)no1.
What is the InChIKey of 5-methyl-N'-pyrimidin-2-yl-1,2-oxazole-3-carbohydrazide?
The InChIKey is CAOICRFNDOUELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2/c1-6-5-7(14-16-6)8(15)12-13-9-10-3-2-4-11-9/h2-5H,1H3,(H,12,15)(H,10,11,13).
What are the key properties of 5-methyl-N'-pyrimidin-2-yl-1,2-oxazole-3-carbohydrazide?
5-methyl-N'-pyrimidin-2-yl-1,2-oxazole-3-carbohydrazide has a molecular weight of 219.20 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N'-pyrimidin-2-yl-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 47414337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).