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

C14H23N3O3 — CID 75423546

IUPAC(2,4-dimethyl-1,3-oxazol-5-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone
SMILESCOCCN1CCCN(C(=O)c2oc(C)nc2C)CC1
InChIInChI=1S/C14H23N3O3/c1-11-13(20-12(2)15-11)14(18)17-6-4-5-16(7-8-17)9-10-19-3/h4-10H2,1-3H3
InChIKeyFPOIYESSKMRILI-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.09
Rot. Bonds4

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

(2,4-dimethyl-1,3-oxazol-5-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone (PubChem CID 75423546) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-oxazol-5-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-oxazol-5-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone
PubChem CID75423546
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name(2,4-dimethyl-1,3-oxazol-5-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone
SMILESCOCCN1CCCN(C(=O)c2oc(C)nc2C)CC1
InChIInChI=1S/C14H23N3O3/c1-11-13(20-12(2)15-11)14(18)17-6-4-5-16(7-8-17)9-10-19-3/h4-10H2,1-3H3
InChIKeyFPOIYESSKMRILI-UHFFFAOYSA-N
XLogP1.09
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone (CID 75423546) is (2,4-dimethyl-1,3-oxazol-5-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-oxazol-5-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-oxazol-5-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone is COCCN1CCCN(C(=O)c2oc(C)nc2C)CC1.
What is the InChIKey of (2,4-dimethyl-1,3-oxazol-5-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone?
The InChIKey is FPOIYESSKMRILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-11-13(20-12(2)15-11)14(18)17-6-4-5-16(7-8-17)9-10-19-3/h4-10H2,1-3H3.
What are the key properties of (2,4-dimethyl-1,3-oxazol-5-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone?
(2,4-dimethyl-1,3-oxazol-5-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone has a molecular weight of 281.36 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-oxazol-5-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 75423546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).