2-(2-methylpropyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile

C14H22N4O2 — CID 34311059

IUPAC2-(2-methylpropyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile
SMILESCC(C)Cc1nc(C#N)c(NCCN2CCOCC2)o1
InChIInChI=1S/C14H22N4O2/c1-11(2)9-13-17-12(10-15)14(20-13)16-3-4-18-5-7-19-8-6-18/h11,16H,3-9H2,1-2H3
InChIKeyCBKAIVFUIAHWOX-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.49
Rot. Bonds6

About 2-(2-methylpropyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile

2-(2-methylpropyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 34311059) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(2-methylpropyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(2-methylpropyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile
PubChem CID34311059
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-(2-methylpropyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile
SMILESCC(C)Cc1nc(C#N)c(NCCN2CCOCC2)o1
InChIInChI=1S/C14H22N4O2/c1-11(2)9-13-17-12(10-15)14(20-13)16-3-4-18-5-7-19-8-6-18/h11,16H,3-9H2,1-2H3
InChIKeyCBKAIVFUIAHWOX-UHFFFAOYSA-N
XLogP1.49
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-Cyano-2-(2-methylpropyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 725587
5-(Morpholin-4-yl)-2-(propan-2-yl)-1,3-oxazole-4-carbonitrile
CID 725648
2-Methyl-5-(morpholin-4-yl)-1,3-oxazole-4-carbonitrile
CID 685353
2-Cyclopropyl-5-(piperazin-1-YL)-1,3-oxazole-4-carbonitrile
CID 28819363
2-Ethyl-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
CID 725639
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)methylamino]-3-methyl-1-morpholin-4-ylbutan-1-one
CID 75443117
1-(2-Tert-butyl-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide
CID 725632
2-(2-Methylpropyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile
CID 2132012
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-Cyclopropyl-5-[4-[2-(2-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 56808422
2-cyclopropyl-5-[4-[(3S)-oxolane-3-carbonyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 97005266

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(2-methylpropyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile (CID 34311059) is 2-(2-methylpropyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(2-methylpropyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(2-methylpropyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile is CC(C)Cc1nc(C#N)c(NCCN2CCOCC2)o1.
What is the InChIKey of 2-(2-methylpropyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is CBKAIVFUIAHWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11(2)9-13-17-12(10-15)14(20-13)16-3-4-18-5-7-19-8-6-18/h11,16H,3-9H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile?
2-(2-methylpropyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 278.36 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 34311059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).