methyl N-[1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]carbamate

C20H21N3O5S — CID 23648755

IUPACmethyl N-[1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]carbamate
SMILESCOC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(OCC4CC4)cc3)s2)no1
InChIInChI=1S/C20H21N3O5S/c1-12(22-19(24)25-2)17-9-16(23-28-17)18-10-21-20(29-18)27-15-7-5-14(6-8-15)26-11-13-3-4-13/h5-10,12-13H,3-4,11H2,1-2H3,(H,22,24)
InChIKeyQMFFOKCDVRCYBR-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.80
Rot. Bonds8

About methyl N-[1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]carbamate

methyl N-[1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]carbamate (PubChem CID 23648755) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is methyl N-[1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]carbamate
PubChem CID23648755
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC Namemethyl N-[1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]carbamate
SMILESCOC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(OCC4CC4)cc3)s2)no1
InChIInChI=1S/C20H21N3O5S/c1-12(22-19(24)25-2)17-9-16(23-28-17)18-10-21-20(29-18)27-15-7-5-14(6-8-15)26-11-13-3-4-13/h5-10,12-13H,3-4,11H2,1-2H3,(H,22,24)
InChIKeyQMFFOKCDVRCYBR-UHFFFAOYSA-N
XLogP4.80
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl N-[1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]carbamate?
The IUPAC name of methyl N-[1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]carbamate (CID 23648755) is methyl N-[1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]carbamate.
What is the SMILES notation for methyl N-[1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]carbamate?
The canonical SMILES for methyl N-[1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]carbamate is COC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(OCC4CC4)cc3)s2)no1.
What is the InChIKey of methyl N-[1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]carbamate?
The InChIKey is QMFFOKCDVRCYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-12(22-19(24)25-2)17-9-16(23-28-17)18-10-21-20(29-18)27-15-7-5-14(6-8-15)26-11-13-3-4-13/h5-10,12-13H,3-4,11H2,1-2H3,(H,22,24).
What are the key properties of methyl N-[1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]carbamate?
methyl N-[1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]carbamate has a molecular weight of 415.47 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]carbamate is sourced from PubChem (CID 23648755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).