5-(5H-1,2-oxazol-2-yl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine

C18H26N2O2 — CID 54110827

IUPAC5-(5H-1,2-oxazol-2-yl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
SMILESCCCN(CCC)C1COc2cccc(N3C=CCO3)c2C1
InChIInChI=1S/C18H26N2O2/c1-3-9-19(10-4-2)15-13-16-17(20-11-6-12-22-20)7-5-8-18(16)21-14-15/h5-8,11,15H,3-4,9-10,12-14H2,1-2H3
InChIKeyNGYQYUWURRRGPQ-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.38
Rot. Bonds6

About 5-(5H-1,2-oxazol-2-yl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine

5-(5H-1,2-oxazol-2-yl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine (PubChem CID 54110827) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 5-(5H-1,2-oxazol-2-yl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name5-(5H-1,2-oxazol-2-yl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
PubChem CID54110827
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name5-(5H-1,2-oxazol-2-yl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
SMILESCCCN(CCC)C1COc2cccc(N3C=CCO3)c2C1
InChIInChI=1S/C18H26N2O2/c1-3-9-19(10-4-2)15-13-16-17(20-11-6-12-22-20)7-5-8-18(16)21-14-15/h5-8,11,15H,3-4,9-10,12-14H2,1-2H3
InChIKeyNGYQYUWURRRGPQ-UHFFFAOYSA-N
XLogP3.38
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5H-1,2-oxazol-2-yl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of 5-(5H-1,2-oxazol-2-yl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine (CID 54110827) is 5-(5H-1,2-oxazol-2-yl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for 5-(5H-1,2-oxazol-2-yl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for 5-(5H-1,2-oxazol-2-yl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine is CCCN(CCC)C1COc2cccc(N3C=CCO3)c2C1.
What is the InChIKey of 5-(5H-1,2-oxazol-2-yl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is NGYQYUWURRRGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-9-19(10-4-2)15-13-16-17(20-11-6-12-22-20)7-5-8-18(16)21-14-15/h5-8,11,15H,3-4,9-10,12-14H2,1-2H3.
What are the key properties of 5-(5H-1,2-oxazol-2-yl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine?
5-(5H-1,2-oxazol-2-yl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 302.42 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5H-1,2-oxazol-2-yl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 54110827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).