N-(cyclopropylmethyl)-4-[[5-(1,2-oxazol-3-yl)-1,3-thiazol-2-yl]oxy]aniline

C16H15N3O2S — CID 141193978

IUPACN-(cyclopropylmethyl)-4-[[5-(1,2-oxazol-3-yl)-1,3-thiazol-2-yl]oxy]aniline
SMILESc1cc(-c2cnc(Oc3ccc(NCC4CC4)cc3)s2)no1
InChIInChI=1S/C16H15N3O2S/c1-2-11(1)9-17-12-3-5-13(6-4-12)21-16-18-10-15(22-16)14-7-8-20-19-14/h3-8,10-11,17H,1-2,9H2
InChIKeyZSWJAPNAXCYOID-UHFFFAOYSA-N
MW313.38 g/mol
LogP4.41
Rot. Bonds6

About N-(cyclopropylmethyl)-4-[[5-(1,2-oxazol-3-yl)-1,3-thiazol-2-yl]oxy]aniline

N-(cyclopropylmethyl)-4-[[5-(1,2-oxazol-3-yl)-1,3-thiazol-2-yl]oxy]aniline (PubChem CID 141193978) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-[[5-(1,2-oxazol-3-yl)-1,3-thiazol-2-yl]oxy]aniline.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-[[5-(1,2-oxazol-3-yl)-1,3-thiazol-2-yl]oxy]aniline
PubChem CID141193978
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-(cyclopropylmethyl)-4-[[5-(1,2-oxazol-3-yl)-1,3-thiazol-2-yl]oxy]aniline
SMILESc1cc(-c2cnc(Oc3ccc(NCC4CC4)cc3)s2)no1
InChIInChI=1S/C16H15N3O2S/c1-2-11(1)9-17-12-3-5-13(6-4-12)21-16-18-10-15(22-16)14-7-8-20-19-14/h3-8,10-11,17H,1-2,9H2
InChIKeyZSWJAPNAXCYOID-UHFFFAOYSA-N
XLogP4.41
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-[[5-(1,2-oxazol-3-yl)-1,3-thiazol-2-yl]oxy]aniline?
The IUPAC name of N-(cyclopropylmethyl)-4-[[5-(1,2-oxazol-3-yl)-1,3-thiazol-2-yl]oxy]aniline (CID 141193978) is N-(cyclopropylmethyl)-4-[[5-(1,2-oxazol-3-yl)-1,3-thiazol-2-yl]oxy]aniline.
What is the SMILES notation for N-(cyclopropylmethyl)-4-[[5-(1,2-oxazol-3-yl)-1,3-thiazol-2-yl]oxy]aniline?
The canonical SMILES for N-(cyclopropylmethyl)-4-[[5-(1,2-oxazol-3-yl)-1,3-thiazol-2-yl]oxy]aniline is c1cc(-c2cnc(Oc3ccc(NCC4CC4)cc3)s2)no1.
What is the InChIKey of N-(cyclopropylmethyl)-4-[[5-(1,2-oxazol-3-yl)-1,3-thiazol-2-yl]oxy]aniline?
The InChIKey is ZSWJAPNAXCYOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-2-11(1)9-17-12-3-5-13(6-4-12)21-16-18-10-15(22-16)14-7-8-20-19-14/h3-8,10-11,17H,1-2,9H2.
What are the key properties of N-(cyclopropylmethyl)-4-[[5-(1,2-oxazol-3-yl)-1,3-thiazol-2-yl]oxy]aniline?
N-(cyclopropylmethyl)-4-[[5-(1,2-oxazol-3-yl)-1,3-thiazol-2-yl]oxy]aniline has a molecular weight of 313.38 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-[[5-(1,2-oxazol-3-yl)-1,3-thiazol-2-yl]oxy]aniline is sourced from PubChem (CID 141193978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).