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

C16H23N5O3 — CID 138378429

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(5-propyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]methanone
SMILESCCCc1nc(N2CCCN(C(=O)c3c(C)noc3C)CC2)no1
InChIInChI=1S/C16H23N5O3/c1-4-6-13-17-16(19-24-13)21-8-5-7-20(9-10-21)15(22)14-11(2)18-23-12(14)3/h4-10H2,1-3H3
InChIKeyNGWINGCEWMMATF-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.98
Rot. Bonds4

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

(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(5-propyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]methanone (PubChem CID 138378429) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(5-propyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(5-propyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]methanone
PubChem CID138378429
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(5-propyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]methanone
SMILESCCCc1nc(N2CCCN(C(=O)c3c(C)noc3C)CC2)no1
InChIInChI=1S/C16H23N5O3/c1-4-6-13-17-16(19-24-13)21-8-5-7-20(9-10-21)15(22)14-11(2)18-23-12(14)3/h4-10H2,1-3H3
InChIKeyNGWINGCEWMMATF-UHFFFAOYSA-N
XLogP1.98
TPSA88.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(5-propyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(5-propyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]methanone (CID 138378429) is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(5-propyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(5-propyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(5-propyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]methanone is CCCc1nc(N2CCCN(C(=O)c3c(C)noc3C)CC2)no1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(5-propyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]methanone?
The InChIKey is NGWINGCEWMMATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-4-6-13-17-16(19-24-13)21-8-5-7-20(9-10-21)15(22)14-11(2)18-23-12(14)3/h4-10H2,1-3H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(5-propyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(5-propyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]methanone has a molecular weight of 333.39 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(5-propyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 138378429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).