4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide

C24H28N4O4 — CID 70802523

IUPAC4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCCN(c3ccc(-c4cnc(C)o4)c(OC)c3)CC2)c1
InChIInChI=1S/C24H28N4O4/c1-17-25-16-23(32-17)21-9-8-19(15-22(21)31-3)27-10-5-11-28(13-12-27)24(29)26-18-6-4-7-20(14-18)30-2/h4,6-9,14-16H,5,10-13H2,1-3H3,(H,26,29)
InChIKeyQGVOQZLIIBUYAY-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.41
Rot. Bonds5

About 4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide

4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide (PubChem CID 70802523) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide
PubChem CID70802523
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCCN(c3ccc(-c4cnc(C)o4)c(OC)c3)CC2)c1
InChIInChI=1S/C24H28N4O4/c1-17-25-16-23(32-17)21-9-8-19(15-22(21)31-3)27-10-5-11-28(13-12-27)24(29)26-18-6-4-7-20(14-18)30-2/h4,6-9,14-16H,5,10-13H2,1-3H3,(H,26,29)
InChIKeyQGVOQZLIIBUYAY-UHFFFAOYSA-N
XLogP4.41
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-[(2,4,6-trimethylphenyl)methyl]-1,4-diazepane-1-carboxamide
CID 70802989
N-[(2,5-difluorophenyl)methyl]-4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1,4-diazepane-1-carboxamide
CID 70802653
4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-[(3-pyridin-2-yloxyphenyl)methyl]piperazine-1-carboxamide
CID 70802994
4-(3-methoxyphenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 16645833
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
2-indol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]propan-1-one
CID 70802953
4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1,4-diazepan-5-one
CID 70802884
N-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113577
N-(3-methoxyphenyl)-4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazine-1-carboxamide
CID 22585362
4-(3-cyanophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113611
N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2982408
N-(3-methoxyphenyl)-4-propyl-1,4-diazepane-1-carboxamide
CID 47090396

Frequently Asked Questions

What is the IUPAC name of 4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide (CID 70802523) is 4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide is COc1cccc(NC(=O)N2CCCN(c3ccc(-c4cnc(C)o4)c(OC)c3)CC2)c1.
What is the InChIKey of 4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide?
The InChIKey is QGVOQZLIIBUYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-17-25-16-23(32-17)21-9-8-19(15-22(21)31-3)27-10-5-11-28(13-12-27)24(29)26-18-6-4-7-20(14-18)30-2/h4,6-9,14-16H,5,10-13H2,1-3H3,(H,26,29).
What are the key properties of 4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide?
4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 70802523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).