7-phenyl-1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)-1,4-diazepan-5-one

C18H21N3O3 — CID 86933702

IUPAC7-phenyl-1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)-1,4-diazepan-5-one
SMILESCC(C)c1ocnc1C(=O)N1CCNC(=O)CC1c1ccccc1
InChIInChI=1S/C18H21N3O3/c1-12(2)17-16(20-11-24-17)18(23)21-9-8-19-15(22)10-14(21)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3,(H,19,22)
InChIKeyVZLWCAIWQNSNSF-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.50
Rot. Bonds3

About 7-phenyl-1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)-1,4-diazepan-5-one

7-phenyl-1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)-1,4-diazepan-5-one (PubChem CID 86933702) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 7-phenyl-1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name7-phenyl-1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)-1,4-diazepan-5-one
PubChem CID86933702
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name7-phenyl-1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)-1,4-diazepan-5-one
SMILESCC(C)c1ocnc1C(=O)N1CCNC(=O)CC1c1ccccc1
InChIInChI=1S/C18H21N3O3/c1-12(2)17-16(20-11-24-17)18(23)21-9-8-19-15(22)10-14(21)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3,(H,19,22)
InChIKeyVZLWCAIWQNSNSF-UHFFFAOYSA-N
XLogP2.50
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-phenyl-1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)-1,4-diazepan-5-one with MolForge

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Related Compounds

[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 97023947
(7R)-1-(2-methylpyrimidine-4-carbonyl)-7-phenyl-1,4-diazepan-5-one
CID 95144787
(7S)-1-[(2R)-2-methylsulfanylpropanoyl]-7-phenyl-1,4-diazepan-5-one
CID 94195538
(7R)-1-[(2S)-2-methylsulfanylpropanoyl]-7-phenyl-1,4-diazepan-5-one
CID 94195535
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 134698352
8-(cyclopropanecarbonyl)-1-(4-methyl-1,3-oxazole-5-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
CID 110201849
[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 126429901
(7S)-1-[4-[(R)-methylsulfinyl]benzoyl]-7-phenyl-1,4-diazepan-5-one
CID 95141444
propan-2-yl 2,4-dimethyl-5-[(7R)-5-oxo-7-phenyl-1,4-diazepane-1-carbonyl]-1H-pyrrole-3-carboxylate
CID 94134250
1-[1-(4-fluorophenyl)-5-methylpyrazole-3-carbonyl]-7-phenyl-1,4-diazepan-5-one
CID 126801090
1-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-7-phenyl-1,4-diazepan-5-one
CID 49327875
5-oxo-7-phenyl-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide
CID 136579285

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)-1,4-diazepan-5-one?
The IUPAC name of 7-phenyl-1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)-1,4-diazepan-5-one (CID 86933702) is 7-phenyl-1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)-1,4-diazepan-5-one.
What is the SMILES notation for 7-phenyl-1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)-1,4-diazepan-5-one?
The canonical SMILES for 7-phenyl-1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)-1,4-diazepan-5-one is CC(C)c1ocnc1C(=O)N1CCNC(=O)CC1c1ccccc1.
What is the InChIKey of 7-phenyl-1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)-1,4-diazepan-5-one?
The InChIKey is VZLWCAIWQNSNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12(2)17-16(20-11-24-17)18(23)21-9-8-19-15(22)10-14(21)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3,(H,19,22).
What are the key properties of 7-phenyl-1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)-1,4-diazepan-5-one?
7-phenyl-1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)-1,4-diazepan-5-one has a molecular weight of 327.38 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)-1,4-diazepan-5-one is sourced from PubChem (CID 86933702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).