3,5-dimethyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,2-oxazole

C16H20N2O — CID 157019503

IUPAC3,5-dimethyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,2-oxazole
SMILESCc1noc(C)c1CN1CCCc2ccccc2C1
InChIInChI=1S/C16H20N2O/c1-12-16(13(2)19-17-12)11-18-9-5-8-14-6-3-4-7-15(14)10-18/h3-4,6-7H,5,8-11H2,1-2H3
InChIKeyAWECEJWQZCCZME-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.24
Rot. Bonds2

About 3,5-dimethyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,2-oxazole

3,5-dimethyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,2-oxazole (PubChem CID 157019503) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3,5-dimethyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,2-oxazole
PubChem CID157019503
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3,5-dimethyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,2-oxazole
SMILESCc1noc(C)c1CN1CCCc2ccccc2C1
InChIInChI=1S/C16H20N2O/c1-12-16(13(2)19-17-12)11-18-9-5-8-14-6-3-4-7-15(14)10-18/h3-4,6-7H,5,8-11H2,1-2H3
InChIKeyAWECEJWQZCCZME-UHFFFAOYSA-N
XLogP3.24
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522540
3,5-dimethyl-4-[(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)methyl]-1,2-oxazole
CID 97468882
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-dihydroisoindol-4-amine
CID 79238250
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propan-2-amine
CID 95228083
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylmorpholine
CID 51076931
4-[[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 97468936
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazole
CID 42960378
4-[[(5R)-2-benzyl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 97483058
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 75462254
3,5-dimethyl-4-[[(3R)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 95110918
4-[(4-cyclopropylidenepiperidin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride
CID 121184211
3,5-dimethyl-4-[(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole
CID 24912623

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,2-oxazole (CID 157019503) is 3,5-dimethyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,2-oxazole is Cc1noc(C)c1CN1CCCc2ccccc2C1.
What is the InChIKey of 3,5-dimethyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,2-oxazole?
The InChIKey is AWECEJWQZCCZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-16(13(2)19-17-12)11-18-9-5-8-14-6-3-4-7-15(14)10-18/h3-4,6-7H,5,8-11H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,2-oxazole?
3,5-dimethyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,2-oxazole has a molecular weight of 256.35 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 157019503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).