(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone

C15H20N4O2S — CID 56819128

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
SMILESCc1csc(N2CCCN(C(=O)c3c(C)noc3C)CC2)n1
InChIInChI=1S/C15H20N4O2S/c1-10-9-22-15(16-10)19-6-4-5-18(7-8-19)14(20)13-11(2)17-21-12(13)3/h9H,4-8H2,1-3H3
InChIKeyXAMYBRHWMDDRFS-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.41
Rot. Bonds2

About (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone (PubChem CID 56819128) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
PubChem CID56819128
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
SMILESCc1csc(N2CCCN(C(=O)c3c(C)noc3C)CC2)n1
InChIInChI=1S/C15H20N4O2S/c1-10-9-22-15(16-10)19-6-4-5-18(7-8-19)14(20)13-11(2)17-21-12(13)3/h9H,4-8H2,1-3H3
InChIKeyXAMYBRHWMDDRFS-UHFFFAOYSA-N
XLogP2.41
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone (CID 56819128) is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone is Cc1csc(N2CCCN(C(=O)c3c(C)noc3C)CC2)n1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone?
The InChIKey is XAMYBRHWMDDRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-10-9-22-15(16-10)19-6-4-5-18(7-8-19)14(20)13-11(2)17-21-12(13)3/h9H,4-8H2,1-3H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone has a molecular weight of 320.42 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 56819128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).