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

C10H13N3O2 — CID 725639

IUPAC2-ethyl-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
SMILESCCc1nc(C#N)c(N2CCOCC2)o1
InChIInChI=1S/C10H13N3O2/c1-2-9-12-8(7-11)10(15-9)13-3-5-14-6-4-13/h2-6H2,1H3
InChIKeyJUZXLMUBQZMETP-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.95
Rot. Bonds2

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

2-ethyl-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile (PubChem CID 725639) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-ethyl-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-ethyl-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
PubChem CID725639
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-ethyl-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
SMILESCCc1nc(C#N)c(N2CCOCC2)o1
InChIInChI=1S/C10H13N3O2/c1-2-9-12-8(7-11)10(15-9)13-3-5-14-6-4-13/h2-6H2,1H3
InChIKeyJUZXLMUBQZMETP-UHFFFAOYSA-N
XLogP0.95
TPSA62.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.95
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
2-(Methylethyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
CID 725648
2-Ethyl-5-(1-piperidinyl)-1,3-oxazole-4-carbonitrile
CID 2304936
2-Methoxy-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
CID 786395
2-Methyl-5-(morpholin-4-yl)-1,3-oxazole-4-carbonitrile
CID 685353
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
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
2-Methyl-5-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 38802044

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-ethyl-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile (CID 725639) is 2-ethyl-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-ethyl-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-ethyl-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile is CCc1nc(C#N)c(N2CCOCC2)o1.
What is the InChIKey of 2-ethyl-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is JUZXLMUBQZMETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-2-9-12-8(7-11)10(15-9)13-3-5-14-6-4-13/h2-6H2,1H3.
What are the key properties of 2-ethyl-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile?
2-ethyl-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 207.23 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 725639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).