(7S)-1-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoyl]-7-phenyl-1,4-diazepan-5-one

C24H25N3O3 — CID 99805056

IUPAC(7S)-1-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoyl]-7-phenyl-1,4-diazepan-5-one
SMILESCc1nc(CCC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)oc1-c1ccccc1
InChIInChI=1S/C24H25N3O3/c1-17-24(19-10-6-3-7-11-19)30-22(26-17)12-13-23(29)27-15-14-25-21(28)16-20(27)18-8-4-2-5-9-18/h2-11,20H,12-16H2,1H3,(H,25,28)/t20-/m0/s1
InChIKeyFWACMVIZTFBNOO-FQEVSTJZSA-N
MW403.48 g/mol
LogP3.67
Rot. Bonds5

About (7S)-1-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoyl]-7-phenyl-1,4-diazepan-5-one

(7S)-1-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoyl]-7-phenyl-1,4-diazepan-5-one (PubChem CID 99805056) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is (7S)-1-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoyl]-7-phenyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name(7S)-1-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoyl]-7-phenyl-1,4-diazepan-5-one
PubChem CID99805056
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name(7S)-1-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoyl]-7-phenyl-1,4-diazepan-5-one
SMILESCc1nc(CCC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)oc1-c1ccccc1
InChIInChI=1S/C24H25N3O3/c1-17-24(19-10-6-3-7-11-19)30-22(26-17)12-13-23(29)27-15-14-25-21(28)16-20(27)18-8-4-2-5-9-18/h2-11,20H,12-16H2,1H3,(H,25,28)/t20-/m0/s1
InChIKeyFWACMVIZTFBNOO-FQEVSTJZSA-N
XLogP3.67
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7S)-1-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoyl]-7-phenyl-1,4-diazepan-5-one?
The IUPAC name of (7S)-1-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoyl]-7-phenyl-1,4-diazepan-5-one (CID 99805056) is (7S)-1-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoyl]-7-phenyl-1,4-diazepan-5-one.
What is the SMILES notation for (7S)-1-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoyl]-7-phenyl-1,4-diazepan-5-one?
The canonical SMILES for (7S)-1-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoyl]-7-phenyl-1,4-diazepan-5-one is Cc1nc(CCC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)oc1-c1ccccc1.
What is the InChIKey of (7S)-1-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoyl]-7-phenyl-1,4-diazepan-5-one?
The InChIKey is FWACMVIZTFBNOO-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-17-24(19-10-6-3-7-11-19)30-22(26-17)12-13-23(29)27-15-14-25-21(28)16-20(27)18-8-4-2-5-9-18/h2-11,20H,12-16H2,1H3,(H,25,28)/t20-/m0/s1.
What are the key properties of (7S)-1-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoyl]-7-phenyl-1,4-diazepan-5-one?
(7S)-1-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoyl]-7-phenyl-1,4-diazepan-5-one has a molecular weight of 403.48 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-1-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoyl]-7-phenyl-1,4-diazepan-5-one is sourced from PubChem (CID 99805056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).