2-methyl-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile

C9H11N3O2 — CID 685353

IUPAC2-methyl-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
SMILESCc1nc(C#N)c(N2CCOCC2)o1
InChIInChI=1S/C9H11N3O2/c1-7-11-8(6-10)9(14-7)12-2-4-13-5-3-12/h2-5H2,1H3
InChIKeyWELMHJIYMANPRN-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.69
Rot. Bonds1

About 2-methyl-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile

2-methyl-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile (PubChem CID 685353) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-methyl-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
PubChem CID685353
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-methyl-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
SMILESCc1nc(C#N)c(N2CCOCC2)o1
InChIInChI=1S/C9H11N3O2/c1-7-11-8(6-10)9(14-7)12-2-4-13-5-3-12/h2-5H2,1H3
InChIKeyWELMHJIYMANPRN-UHFFFAOYSA-N
XLogP0.69
TPSA62.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyano-5-(dimethylamino)-N,N-dimethyl-1,3-oxazole-2-carboxamide
CID 701004
2-(Morpholine-4-carbonyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
CID 12417791
5-(Morpholin-4-yl)-2-(propan-2-yl)-1,3-oxazole-4-carbonitrile
CID 725648
2-Ethyl-5-(piperidin-1-yl)oxazole-4-carbonitrile
CID 2304936
2-Methoxy-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
CID 786395
2-Ethyl-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
CID 725639
5-[4-(2-Chloroacetyl)piperazin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile
CID 25625460
5-(Dimethylamino)-2-(hydroxymethyl)-1,3-oxazole-4-carbonitrile
CID 126836626
N,N-Diethyl-2,4-dimethyl-1,3-oxazol-5-amine
CID 12408863
2-Methyl-5-(methylamino)-1,3-oxazole-4-carbonitrile
CID 12286168
Ethyl 4-[4-cyano-2-(propan-2-yl)-1,3-oxazol-5-yl]piperazine-1-carboxylate
CID 24111519
2-Cyclopropyl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
CID 36413690

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-methyl-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile (CID 685353) is 2-methyl-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-methyl-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-methyl-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile is Cc1nc(C#N)c(N2CCOCC2)o1.
What is the InChIKey of 2-methyl-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is WELMHJIYMANPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-7-11-8(6-10)9(14-7)12-2-4-13-5-3-12/h2-5H2,1H3.
What are the key properties of 2-methyl-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile?
2-methyl-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 193.21 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 685353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).