1-[azepan-4-ylmethyl(1,3-oxazol-4-ylmethyl)amino]-3-methoxypropan-2-ol

C15H27N3O3 — CID 123177954

IUPAC1-[azepan-4-ylmethyl(1,3-oxazol-4-ylmethyl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(Cc1cocn1)CC1CCCNCC1
InChIInChI=1S/C15H27N3O3/c1-20-11-15(19)9-18(8-14-10-21-12-17-14)7-13-3-2-5-16-6-4-13/h10,12-13,15-16,19H,2-9,11H2,1H3
InChIKeyZFRTUEYXMADJBC-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.87
Rot. Bonds8

About 1-[azepan-4-ylmethyl(1,3-oxazol-4-ylmethyl)amino]-3-methoxypropan-2-ol

1-[azepan-4-ylmethyl(1,3-oxazol-4-ylmethyl)amino]-3-methoxypropan-2-ol (PubChem CID 123177954) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[azepan-4-ylmethyl(1,3-oxazol-4-ylmethyl)amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[azepan-4-ylmethyl(1,3-oxazol-4-ylmethyl)amino]-3-methoxypropan-2-ol
PubChem CID123177954
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-[azepan-4-ylmethyl(1,3-oxazol-4-ylmethyl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(Cc1cocn1)CC1CCCNCC1
InChIInChI=1S/C15H27N3O3/c1-20-11-15(19)9-18(8-14-10-21-12-17-14)7-13-3-2-5-16-6-4-13/h10,12-13,15-16,19H,2-9,11H2,1H3
InChIKeyZFRTUEYXMADJBC-UHFFFAOYSA-N
XLogP0.87
TPSA70.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[azepan-4-ylmethyl(1,3-oxazol-4-ylmethyl)amino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[azepan-4-ylmethyl(1,3-oxazol-4-ylmethyl)amino]-3-methoxypropan-2-ol (CID 123177954) is 1-[azepan-4-ylmethyl(1,3-oxazol-4-ylmethyl)amino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[azepan-4-ylmethyl(1,3-oxazol-4-ylmethyl)amino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[azepan-4-ylmethyl(1,3-oxazol-4-ylmethyl)amino]-3-methoxypropan-2-ol is COCC(O)CN(Cc1cocn1)CC1CCCNCC1.
What is the InChIKey of 1-[azepan-4-ylmethyl(1,3-oxazol-4-ylmethyl)amino]-3-methoxypropan-2-ol?
The InChIKey is ZFRTUEYXMADJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-20-11-15(19)9-18(8-14-10-21-12-17-14)7-13-3-2-5-16-6-4-13/h10,12-13,15-16,19H,2-9,11H2,1H3.
What are the key properties of 1-[azepan-4-ylmethyl(1,3-oxazol-4-ylmethyl)amino]-3-methoxypropan-2-ol?
1-[azepan-4-ylmethyl(1,3-oxazol-4-ylmethyl)amino]-3-methoxypropan-2-ol has a molecular weight of 297.40 g/mol, XLogP of 0.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[azepan-4-ylmethyl(1,3-oxazol-4-ylmethyl)amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 123177954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).