4-[cyclopropyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]butan-1-ol

C15H20N2O2S — CID 111457014

IUPAC4-[cyclopropyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]butan-1-ol
SMILESOCCCCN(Cc1ncc(-c2cccs2)o1)C1CC1
InChIInChI=1S/C15H20N2O2S/c18-8-2-1-7-17(12-5-6-12)11-15-16-10-13(19-15)14-4-3-9-20-14/h3-4,9-10,12,18H,1-2,5-8,11H2
InChIKeyWUVPCMPMOMXCPW-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.14
Rot. Bonds8

About 4-[cyclopropyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]butan-1-ol

4-[cyclopropyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]butan-1-ol (PubChem CID 111457014) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-[cyclopropyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]butan-1-ol.

Molecular Properties

Compound Name4-[cyclopropyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]butan-1-ol
PubChem CID111457014
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name4-[cyclopropyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]butan-1-ol
SMILESOCCCCN(Cc1ncc(-c2cccs2)o1)C1CC1
InChIInChI=1S/C15H20N2O2S/c18-8-2-1-7-17(12-5-6-12)11-15-16-10-13(19-15)14-4-3-9-20-14/h3-4,9-10,12,18H,1-2,5-8,11H2
InChIKeyWUVPCMPMOMXCPW-UHFFFAOYSA-N
XLogP3.14
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]butan-1-ol?
The IUPAC name of 4-[cyclopropyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]butan-1-ol (CID 111457014) is 4-[cyclopropyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]butan-1-ol.
What is the SMILES notation for 4-[cyclopropyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]butan-1-ol?
The canonical SMILES for 4-[cyclopropyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]butan-1-ol is OCCCCN(Cc1ncc(-c2cccs2)o1)C1CC1.
What is the InChIKey of 4-[cyclopropyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]butan-1-ol?
The InChIKey is WUVPCMPMOMXCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c18-8-2-1-7-17(12-5-6-12)11-15-16-10-13(19-15)14-4-3-9-20-14/h3-4,9-10,12,18H,1-2,5-8,11H2.
What are the key properties of 4-[cyclopropyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]butan-1-ol?
4-[cyclopropyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]butan-1-ol has a molecular weight of 292.40 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]butan-1-ol is sourced from PubChem (CID 111457014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).