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

C19H26N2O2 — CID 18933170

IUPAC5-(4-methyl-1,2-oxazol-5-yl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
SMILESCCCN(CCC)C1COc2cccc(-c3oncc3C)c2C1
InChIInChI=1S/C19H26N2O2/c1-4-9-21(10-5-2)15-11-17-16(19-14(3)12-20-23-19)7-6-8-18(17)22-13-15/h6-8,12,15H,4-5,9-11,13H2,1-3H3
InChIKeySMRIARJBWOROLC-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.08
Rot. Bonds6

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

5-(4-methyl-1,2-oxazol-5-yl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine (PubChem CID 18933170) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 5-(4-methyl-1,2-oxazol-5-yl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name5-(4-methyl-1,2-oxazol-5-yl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
PubChem CID18933170
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name5-(4-methyl-1,2-oxazol-5-yl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
SMILESCCCN(CCC)C1COc2cccc(-c3oncc3C)c2C1
InChIInChI=1S/C19H26N2O2/c1-4-9-21(10-5-2)15-11-17-16(19-14(3)12-20-23-19)7-6-8-18(17)22-13-15/h6-8,12,15H,4-5,9-11,13H2,1-3H3
InChIKeySMRIARJBWOROLC-UHFFFAOYSA-N
XLogP4.08
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-1,2-oxazol-5-yl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of 5-(4-methyl-1,2-oxazol-5-yl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine (CID 18933170) is 5-(4-methyl-1,2-oxazol-5-yl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for 5-(4-methyl-1,2-oxazol-5-yl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for 5-(4-methyl-1,2-oxazol-5-yl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine is CCCN(CCC)C1COc2cccc(-c3oncc3C)c2C1.
What is the InChIKey of 5-(4-methyl-1,2-oxazol-5-yl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is SMRIARJBWOROLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-4-9-21(10-5-2)15-11-17-16(19-14(3)12-20-23-19)7-6-8-18(17)22-13-15/h6-8,12,15H,4-5,9-11,13H2,1-3H3.
What are the key properties of 5-(4-methyl-1,2-oxazol-5-yl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine?
5-(4-methyl-1,2-oxazol-5-yl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 314.43 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-1,2-oxazol-5-yl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 18933170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).