(3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1,2-oxazol-3-yl)methanone

C16H19N3O2 — CID 71921917

IUPAC(3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1,2-oxazol-3-yl)methanone
SMILESCCC1CN(C)c2ccccc2CN1C(=O)c1ccon1
InChIInChI=1S/C16H19N3O2/c1-3-13-11-18(2)15-7-5-4-6-12(15)10-19(13)16(20)14-8-9-21-17-14/h4-9,13H,3,10-11H2,1-2H3
InChIKeyYJHHQZZDXDWHLG-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.55
Rot. Bonds2

About (3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1,2-oxazol-3-yl)methanone

(3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1,2-oxazol-3-yl)methanone (PubChem CID 71921917) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name(3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1,2-oxazol-3-yl)methanone
PubChem CID71921917
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1,2-oxazol-3-yl)methanone
SMILESCCC1CN(C)c2ccccc2CN1C(=O)c1ccon1
InChIInChI=1S/C16H19N3O2/c1-3-13-11-18(2)15-7-5-4-6-12(15)10-19(13)16(20)14-8-9-21-17-14/h4-9,13H,3,10-11H2,1-2H3
InChIKeyYJHHQZZDXDWHLG-UHFFFAOYSA-N
XLogP2.55
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(5-methylpyrazin-2-yl)methanone
CID 71921913
(3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(oxolan-2-yl)methanone
CID 71972375
[(3R)-3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-(1-oxidopyridin-1-ium-4-yl)methanone
CID 96537687
[5-(aminomethyl)furan-2-yl]-[(3R)-3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]methanone
CID 97325252
3-ethyl-1-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
CID 139013057
3-ethyl-1-methyl-N-(1-methyl-3-propylpyrazol-5-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
CID 138998247
(3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(4-methylmorpholin-2-yl)methanone
CID 71921912
3-[2-(3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-2-oxoethyl]-5-methyl-1,3,4-oxadiazol-2-one
CID 146108856
1-[(3S)-3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 97027113
(5R)-5-(3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)pyrrolidin-2-one
CID 71921911
N-[2-[(3S)-3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-oxoethyl]-N-methylethanesulfonamide
CID 96537682
(4S)-4-[(3S)-3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl]-1-methylpiperidin-2-one
CID 124777577

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1,2-oxazol-3-yl)methanone?
The IUPAC name of (3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1,2-oxazol-3-yl)methanone (CID 71921917) is (3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1,2-oxazol-3-yl)methanone.
What is the SMILES notation for (3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1,2-oxazol-3-yl)methanone?
The canonical SMILES for (3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1,2-oxazol-3-yl)methanone is CCC1CN(C)c2ccccc2CN1C(=O)c1ccon1.
What is the InChIKey of (3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1,2-oxazol-3-yl)methanone?
The InChIKey is YJHHQZZDXDWHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-13-11-18(2)15-7-5-4-6-12(15)10-19(13)16(20)14-8-9-21-17-14/h4-9,13H,3,10-11H2,1-2H3.
What are the key properties of (3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1,2-oxazol-3-yl)methanone?
(3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1,2-oxazol-3-yl)methanone has a molecular weight of 285.35 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 71921917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).