8-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-1-oxa-4,8-diazacycloundecan-5-one

C19H23N3O4 — CID 110201617

IUPAC8-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-1-oxa-4,8-diazacycloundecan-5-one
SMILESCc1cccc(-c2ocnc2C(=O)N2CCCOCCNC(=O)CC2)c1
InChIInChI=1S/C19H23N3O4/c1-14-4-2-5-15(12-14)18-17(21-13-26-18)19(24)22-8-3-10-25-11-7-20-16(23)6-9-22/h2,4-5,12-13H,3,6-11H2,1H3,(H,20,23)
InChIKeyQLAVBPXNUNBQOF-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.02
Rot. Bonds2

About 8-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-1-oxa-4,8-diazacycloundecan-5-one

8-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-1-oxa-4,8-diazacycloundecan-5-one (PubChem CID 110201617) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 8-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-1-oxa-4,8-diazacycloundecan-5-one.

Molecular Properties

Compound Name8-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-1-oxa-4,8-diazacycloundecan-5-one
PubChem CID110201617
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name8-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-1-oxa-4,8-diazacycloundecan-5-one
SMILESCc1cccc(-c2ocnc2C(=O)N2CCCOCCNC(=O)CC2)c1
InChIInChI=1S/C19H23N3O4/c1-14-4-2-5-15(12-14)18-17(21-13-26-18)19(24)22-8-3-10-25-11-7-20-16(23)6-9-22/h2,4-5,12-13H,3,6-11H2,1H3,(H,20,23)
InChIKeyQLAVBPXNUNBQOF-UHFFFAOYSA-N
XLogP2.02
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-(isoquinoline-1-carbonyl)-1,4,8-oxadiazecan-5-one
CID 110200979
[4-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 3232247
1,4-diazepan-1-yl-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone
CID 119416396
17-methyl-10-(5-methyl-1,3-oxazole-4-carbonyl)-2-oxa-5,10,13-triazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-6,14-dione
CID 154563633
1,4-diazepan-1-yl-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone;dihydrochloride
CID 119416395
5-(3-methylphenyl)-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 20963716
8-[2-(3-fluorophenyl)acetyl]-1-oxa-4,8-diazacycloundecan-5-one
CID 110201618
[5-(4-fluorophenyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 110244642
1-(3,4-dimethylphenyl)-3-[1-oxo-1-(5-oxo-1-oxa-4,8-diazacycloundec-8-yl)-3-phenylpropan-2-yl]urea
CID 156611951
4-(7-oxo-1,4,8-oxadiazecane-4-carbonyl)benzonitrile
CID 110200973
[5-methyl-2-(3-methylphenyl)triazol-4-yl]-morpholin-4-ylmethanone
CID 50849333
(3-amino-2-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 104742252

Frequently Asked Questions

What is the IUPAC name of 8-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-1-oxa-4,8-diazacycloundecan-5-one?
The IUPAC name of 8-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-1-oxa-4,8-diazacycloundecan-5-one (CID 110201617) is 8-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-1-oxa-4,8-diazacycloundecan-5-one.
What is the SMILES notation for 8-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-1-oxa-4,8-diazacycloundecan-5-one?
The canonical SMILES for 8-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-1-oxa-4,8-diazacycloundecan-5-one is Cc1cccc(-c2ocnc2C(=O)N2CCCOCCNC(=O)CC2)c1.
What is the InChIKey of 8-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-1-oxa-4,8-diazacycloundecan-5-one?
The InChIKey is QLAVBPXNUNBQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-14-4-2-5-15(12-14)18-17(21-13-26-18)19(24)22-8-3-10-25-11-7-20-16(23)6-9-22/h2,4-5,12-13H,3,6-11H2,1H3,(H,20,23).
What are the key properties of 8-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-1-oxa-4,8-diazacycloundecan-5-one?
8-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-1-oxa-4,8-diazacycloundecan-5-one has a molecular weight of 357.41 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-1-oxa-4,8-diazacycloundecan-5-one is sourced from PubChem (CID 110201617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).