N-(3-chlorophenyl)-2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]acetamide

C19H25ClN4O2 — CID 54765978

IUPACN-(3-chlorophenyl)-2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]acetamide
SMILESCc1nc(CN2CCCN(CC(=O)Nc3cccc(Cl)c3)CC2)oc1C
InChIInChI=1S/C19H25ClN4O2/c1-14-15(2)26-19(21-14)13-24-8-4-7-23(9-10-24)12-18(25)22-17-6-3-5-16(20)11-17/h3,5-6,11H,4,7-10,12-13H2,1-2H3,(H,22,25)
InChIKeyRPJPUUYUZPNYJW-UHFFFAOYSA-N
MW376.89 g/mol
LogP3.09
Rot. Bonds5

About N-(3-chlorophenyl)-2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]acetamide

N-(3-chlorophenyl)-2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]acetamide (PubChem CID 54765978) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]acetamide
PubChem CID54765978
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC NameN-(3-chlorophenyl)-2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]acetamide
SMILESCc1nc(CN2CCCN(CC(=O)Nc3cccc(Cl)c3)CC2)oc1C
InChIInChI=1S/C19H25ClN4O2/c1-14-15(2)26-19(21-14)13-24-8-4-7-23(9-10-24)12-18(25)22-17-6-3-5-16(20)11-17/h3,5-6,11H,4,7-10,12-13H2,1-2H3,(H,22,25)
InChIKeyRPJPUUYUZPNYJW-UHFFFAOYSA-N
XLogP3.09
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]acetamide (CID 54765978) is N-(3-chlorophenyl)-2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]acetamide is Cc1nc(CN2CCCN(CC(=O)Nc3cccc(Cl)c3)CC2)oc1C.
What is the InChIKey of N-(3-chlorophenyl)-2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]acetamide?
The InChIKey is RPJPUUYUZPNYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O2/c1-14-15(2)26-19(21-14)13-24-8-4-7-23(9-10-24)12-18(25)22-17-6-3-5-16(20)11-17/h3,5-6,11H,4,7-10,12-13H2,1-2H3,(H,22,25).
What are the key properties of N-(3-chlorophenyl)-2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]acetamide?
N-(3-chlorophenyl)-2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]acetamide has a molecular weight of 376.89 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 54765978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).