[4-(7H-cyclohepta[d][1,3]oxazol-2-yl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone

C21H23N3O3 — CID 143408608

IUPAC[4-(7H-cyclohepta[d][1,3]oxazol-2-yl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCCN(c3nc4c(o3)=CCC=CC=4)CC2)cc1
InChIInChI=1S/C21H23N3O3/c1-26-17-10-8-16(9-11-17)20(25)23-12-5-13-24(15-14-23)21-22-18-6-3-2-4-7-19(18)27-21/h2-3,6-11H,4-5,12-15H2,1H3
InChIKeyMOGMAYXHFCXFNB-UHFFFAOYSA-N
MW365.43 g/mol
LogP1.56
Rot. Bonds3

About [4-(7H-cyclohepta[d][1,3]oxazol-2-yl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone

[4-(7H-cyclohepta[d][1,3]oxazol-2-yl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 143408608) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is [4-(7H-cyclohepta[d][1,3]oxazol-2-yl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(7H-cyclohepta[d][1,3]oxazol-2-yl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
PubChem CID143408608
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name[4-(7H-cyclohepta[d][1,3]oxazol-2-yl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCCN(c3nc4c(o3)=CCC=CC=4)CC2)cc1
InChIInChI=1S/C21H23N3O3/c1-26-17-10-8-16(9-11-17)20(25)23-12-5-13-24(15-14-23)21-22-18-6-3-2-4-7-19(18)27-21/h2-3,6-11H,4-5,12-15H2,1H3
InChIKeyMOGMAYXHFCXFNB-UHFFFAOYSA-N
XLogP1.56
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [4-(7H-cyclohepta[d][1,3]oxazol-2-yl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-(7H-cyclohepta[d][1,3]oxazol-2-yl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone (CID 143408608) is [4-(7H-cyclohepta[d][1,3]oxazol-2-yl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-(7H-cyclohepta[d][1,3]oxazol-2-yl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-(7H-cyclohepta[d][1,3]oxazol-2-yl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCCN(c3nc4c(o3)=CCC=CC=4)CC2)cc1.
What is the InChIKey of [4-(7H-cyclohepta[d][1,3]oxazol-2-yl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is MOGMAYXHFCXFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-26-17-10-8-16(9-11-17)20(25)23-12-5-13-24(15-14-23)21-22-18-6-3-2-4-7-19(18)27-21/h2-3,6-11H,4-5,12-15H2,1H3.
What are the key properties of [4-(7H-cyclohepta[d][1,3]oxazol-2-yl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone?
[4-(7H-cyclohepta[d][1,3]oxazol-2-yl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 365.43 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7H-cyclohepta[d][1,3]oxazol-2-yl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 143408608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).