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

C16H17FN4O2 — CID 892575

IUPAC2-(2-fluorophenyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccccc2F)oc1NCCN1CCOCC1
InChIInChI=1S/C16H17FN4O2/c17-13-4-2-1-3-12(13)15-20-14(11-18)16(23-15)19-5-6-21-7-9-22-10-8-21/h1-4,19H,5-10H2
InChIKeyKVZQWESCFRSSID-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.10
Rot. Bonds5

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

2-(2-fluorophenyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 892575) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile
PubChem CID892575
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC Name2-(2-fluorophenyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccccc2F)oc1NCCN1CCOCC1
InChIInChI=1S/C16H17FN4O2/c17-13-4-2-1-3-12(13)15-20-14(11-18)16(23-15)19-5-6-21-7-9-22-10-8-21/h1-4,19H,5-10H2
InChIKeyKVZQWESCFRSSID-UHFFFAOYSA-N
XLogP2.10
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(2-fluorophenyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile (CID 892575) is 2-(2-fluorophenyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(2-fluorophenyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(2-fluorophenyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccccc2F)oc1NCCN1CCOCC1.
What is the InChIKey of 2-(2-fluorophenyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is KVZQWESCFRSSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c17-13-4-2-1-3-12(13)15-20-14(11-18)16(23-15)19-5-6-21-7-9-22-10-8-21/h1-4,19H,5-10H2.
What are the key properties of 2-(2-fluorophenyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile?
2-(2-fluorophenyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 316.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 892575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).