(4R)-7-(difluoromethoxy)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-8-methoxy-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide

C25H26F2N4O4 — CID 118237425

IUPAC(4R)-7-(difluoromethoxy)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-8-methoxy-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
SMILESCNC(=O)N1N=C(c2ccc(-c3c(C)noc3C)cc2)c2cc(OC)c(OC(F)F)cc2C[C@H]1C
InChIInChI=1S/C25H26F2N4O4/c1-13-10-18-11-21(34-24(26)27)20(33-5)12-19(18)23(29-31(13)25(32)28-4)17-8-6-16(7-9-17)22-14(2)30-35-15(22)3/h6-9,11-13,24H,10H2,1-5H3,(H,28,32)/t13-/m1/s1
InChIKeyQQENNSOEIIPWGC-CYBMUJFWSA-N
MW484.50 g/mol
LogP4.91
Rot. Bonds5

About (4R)-7-(difluoromethoxy)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-8-methoxy-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide

(4R)-7-(difluoromethoxy)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-8-methoxy-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide (PubChem CID 118237425) has the molecular formula C25H26F2N4O4 and a molecular weight of 484.50 g/mol. Its IUPAC name is (4R)-7-(difluoromethoxy)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-8-methoxy-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide.

Molecular Properties

Compound Name(4R)-7-(difluoromethoxy)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-8-methoxy-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
PubChem CID118237425
Molecular FormulaC25H26F2N4O4
Molecular Weight484.50 g/mol
Exact Mass484.19
IUPAC Name(4R)-7-(difluoromethoxy)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-8-methoxy-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
SMILESCNC(=O)N1N=C(c2ccc(-c3c(C)noc3C)cc2)c2cc(OC)c(OC(F)F)cc2C[C@H]1C
InChIInChI=1S/C25H26F2N4O4/c1-13-10-18-11-21(34-24(26)27)20(33-5)12-19(18)23(29-31(13)25(32)28-4)17-8-6-16(7-9-17)22-14(2)30-35-15(22)3/h6-9,11-13,24H,10H2,1-5H3,(H,28,32)/t13-/m1/s1
InChIKeyQQENNSOEIIPWGC-CYBMUJFWSA-N
XLogP4.91
TPSA89.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.50
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R)-7-(difluoromethoxy)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-8-methoxy-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-7-(difluoromethoxy)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-8-methoxy-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide?
The IUPAC name of (4R)-7-(difluoromethoxy)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-8-methoxy-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide (CID 118237425) is (4R)-7-(difluoromethoxy)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-8-methoxy-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide.
What is the SMILES notation for (4R)-7-(difluoromethoxy)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-8-methoxy-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide?
The canonical SMILES for (4R)-7-(difluoromethoxy)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-8-methoxy-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide is CNC(=O)N1N=C(c2ccc(-c3c(C)noc3C)cc2)c2cc(OC)c(OC(F)F)cc2C[C@H]1C.
What is the InChIKey of (4R)-7-(difluoromethoxy)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-8-methoxy-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide?
The InChIKey is QQENNSOEIIPWGC-CYBMUJFWSA-N. The full InChI is InChI=1S/C25H26F2N4O4/c1-13-10-18-11-21(34-24(26)27)20(33-5)12-19(18)23(29-31(13)25(32)28-4)17-8-6-16(7-9-17)22-14(2)30-35-15(22)3/h6-9,11-13,24H,10H2,1-5H3,(H,28,32)/t13-/m1/s1.
What are the key properties of (4R)-7-(difluoromethoxy)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-8-methoxy-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide?
(4R)-7-(difluoromethoxy)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-8-methoxy-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide has a molecular weight of 484.50 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-(difluoromethoxy)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-8-methoxy-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide is sourced from PubChem (CID 118237425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).