1-(1H-imidazol-5-ylmethyl)-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide

C15H25N5O2 — CID 118740413

IUPAC1-(1H-imidazol-5-ylmethyl)-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
SMILESNC(=O)C1CN(Cc2cnc[nH]2)CCN(C2CCOCC2)C1
InChIInChI=1S/C15H25N5O2/c16-15(21)12-8-19(10-13-7-17-11-18-13)3-4-20(9-12)14-1-5-22-6-2-14/h7,11-12,14H,1-6,8-10H2,(H2,16,21)(H,17,18)
InChIKeySCTGCUKOSUBERJ-UHFFFAOYSA-N
MW307.40 g/mol
LogP-0.19
Rot. Bonds4

About 1-(1H-imidazol-5-ylmethyl)-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide

1-(1H-imidazol-5-ylmethyl)-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide (PubChem CID 118740413) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylmethyl)-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylmethyl)-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
PubChem CID118740413
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name1-(1H-imidazol-5-ylmethyl)-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
SMILESNC(=O)C1CN(Cc2cnc[nH]2)CCN(C2CCOCC2)C1
InChIInChI=1S/C15H25N5O2/c16-15(21)12-8-19(10-13-7-17-11-18-13)3-4-20(9-12)14-1-5-22-6-2-14/h7,11-12,14H,1-6,8-10H2,(H2,16,21)(H,17,18)
InChIKeySCTGCUKOSUBERJ-UHFFFAOYSA-N
XLogP-0.19
TPSA87.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1H-imidazol-5-ylmethyl)-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylmethyl)-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide?
The IUPAC name of 1-(1H-imidazol-5-ylmethyl)-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide (CID 118740413) is 1-(1H-imidazol-5-ylmethyl)-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide.
What is the SMILES notation for 1-(1H-imidazol-5-ylmethyl)-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide?
The canonical SMILES for 1-(1H-imidazol-5-ylmethyl)-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide is NC(=O)C1CN(Cc2cnc[nH]2)CCN(C2CCOCC2)C1.
What is the InChIKey of 1-(1H-imidazol-5-ylmethyl)-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide?
The InChIKey is SCTGCUKOSUBERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c16-15(21)12-8-19(10-13-7-17-11-18-13)3-4-20(9-12)14-1-5-22-6-2-14/h7,11-12,14H,1-6,8-10H2,(H2,16,21)(H,17,18).
What are the key properties of 1-(1H-imidazol-5-ylmethyl)-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide?
1-(1H-imidazol-5-ylmethyl)-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide has a molecular weight of 307.40 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylmethyl)-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide is sourced from PubChem (CID 118740413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).